![C41H43N3O9 Cytidin, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidin, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315 Featured Image](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidin, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 721,80 | - |
| Schmelzpunkt (Experimentell) | 107-110 °C | - |
| Dicht (virausgesot) | 1,26 ± 0,1 g/cm3 | Temperatur: 20 °C;Press: 760 Torr |
| pKa (virausgesot) | 8,60±0,40 | Déi meescht sauer Temperatur: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
Isomeric SMILES
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51- 24-23-48-2) 35 (45) 34 (53-39) 26-52-41 (29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22 ,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
InChI Schlëssel
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Aner Nimm fir dës Substanz
N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methylcytidin (ACI);10: PN: WO03084478 PAGE: 57 behaapt RNA;12: PN: US20030170636 PAGE: 17 behaapt R NA;13: PN: US20030212017 SIDE: 19 behaapt R NA;14: PN: US20030
211606 SÄIT: 19 behaapt R NA;15: PN: US20040005569 SIDE: 22 behaapt R NA;16: PN: US20040006030 SIDE: 22 behaapt R NA;16: PN: US20040014048 SIDE: 20 behaapt R NA;17: PN: US20030171313 SIDE: 9 behaapt R NA;17: PN: US20040005565 PAGE: 17- 22 behaapt RNA;17: PN: US20040005570 SIDE: 20 behaapt R NA;17: PN: US20040014047 SIDE: 20 behaapt R NA;17: PN: US20040 014050 PAGE: 20 behaapt R NA;18: PN: US20030198965 SIDE: 19 behaapt R NA;18: PN: US20040014699 SIDE: 20 behaapt R NA;19: PN: US20040006029 SIDE: 23 behaapt R NA;19: PN: WO03106645 SIDE: 71 behaapt R NA;59: PN: US20030166592 PAGE: 15 behaapt RNA;6: PN: WO2005006958 SIDE: 62 behaapt R NA;83: PN: US20040171566 SIDE: 18 behaapt R NA;8: PN: WO2005007825
SÄIT: 62 behaapt R NA;90: PN: US20040005707 SIDE: 20 behaapt R NA;N4-Benzoyl-2'-O-methoxyethyl-5'-O-dimethoxytrityl-5-
Methylcytidin
| Eegeschafte verfügbar |
| Thermesch |
Thermesch
| Immobilie | Wäert | Zoustand | Quell |
| Schmëlzpunkt | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam;Nukleosiden, Nukleotiden & Nukleinsäuren, (2018), 37(4), 232-247, CAplus
Spektrum verfügbar
1H NMR
13C NMR
| Eegeschafte verfügbar |
| Biologesch |
| Chemesch |
| Dicht |
| Lipinski |
| Struktur Zesummenhang |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 291 | pH 1;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 644 | pH 2;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 3690 | pH 3;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 15 600 | pH 4;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 23700 | pH 5;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 24800 | pH 6;Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 23 300 | pH 7;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 14 100 | pH 8;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 3010 | pH 9;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 558 | pH 10;Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemesch
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 569 | pH 1;Temperatur: 25 °C | (1) ACD |
| Koc | 1260 | pH 2;Temperatur: 25 °C | (1) ACD |
| Koc | 7210 | pH 3;Temperatur: 25 °C | (1) ACD |
| Koc | 30400 | pH 4;Temperatur: 25 °C | (1) ACD |
| Koc | 46 300 | pH 5;Temperatur: 25 °C | (1) ACD |
| Koc | 48500 | pH 6;Temperatur: 25 °C | (1) ACD |
| Koc | 45500 | pH 7;Temperatur: 25 °C | (1) ACD |
| Koc | 27500 | pH 8;Temperatur: 25 °C | (1) ACD |
| Koc | 5890 | pH 9;Temperatur: 25 °C | (1) ACD |
| Koc | 1090 | pH 10;Temperatur: 25 °C | (1) ACD |
| log D | 4.16 | pH 1;Temperatur: 25 °C | (1) ACD |
| log D | 4,50 | pH 2;Temperatur: 25 °C | (1) ACD |
| log D | 5.26 | pH 3;Temperatur: 25 °C | (1) ACD |
| log D | 5,88 | pH 4;Temperatur: 25 °C | (1) ACD |
| log D | 6.07 | pH 5;Temperatur: 25 °C | (1) ACD |
| log D | 6.09 | pH 6;Temperatur: 25 °C | (1) ACD |
| log D | 6.06 | pH 7;Temperatur: 25 °C | (1) ACD |
| log D | 5,84 | pH 8;Temperatur: 25 °C | (1) ACD |
| log D | 5.17 | pH 9;Temperatur: 25 °C | (1) ACD |
| log D | 4.44 | pH 10;Temperatur: 25 °C | (1) ACD |
| logP | 6,093±0,720 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 1,3 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,011 g/l | pH 1;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,0 x 10-3 g/l | pH 2;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 8,7 x 10-4 g/L | pH 3;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,1 x 10-4 g/L | pH 4;Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Mass Solubilitéit | 1,4 x 10-4 g/l | pH 5;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,3 x 10-4 g/L | pH 6;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,4 x 10-4 g/l | pH 7;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,3 x 10-4 g/l | pH 8;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,1 x 10-3 g/l | pH 9;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,8 x 10-3 g/l | pH 10;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,4 x 10-4 g/l | Ongebuffert Waasser pH 6,97;Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 1,8 x 10-7 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,5 x 10-5 mol/l | pH 1;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,9 x 10-6 mol/l | pH 2;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,2 x 10-6 mol/l | pH 3;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,9 x 10-7 mol/l | pH 4;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,9 x 10-7 mol/l | pH 5;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,8 x 10-7 mol/l | pH 6;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,9 x 10-7 mol/l | pH 7;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,2 x 10-7 mol/l | pH 8;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,5 x 10-6 mol/l | pH 9;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 8,0 x 10-6 mol/l | pH 10;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,9 x 10-7 mol/l | Ongebuffert Waasser pH 6,97;Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 721,80 | ||
| pKa | 8,60±0,40 | Déi meescht sauer Temperatur: 25 °C | (1) ACD |
| pKa | 3,87±0,20 | Déi meescht Basistemperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dicht
| Immobilie | Wäert | Zoustand | Quell |
| Dicht | 1,26 ± 0,1 g/cm3 | Temperatur: 20 °C;Press: 760 Torr | (1) ACD |
| Molar Volumen | 572,5 ± 7,0 cm3/mol | Temperatur: 20 °C;Press: 760 Torr | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Obligatiounen | 15 | (1) ACD | |
| Immobilie | Wäert | Zoustand | Quell |
| H Akzepter | 12 | (1) ACD | |
| H Donateuren | 2 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 14 | (1) ACD | |
| logP | 6,093±0,720 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 721,80 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Polar Fläch Beräich | 137 A2 | (1) ACD | |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektrum verfügbar
1H NMR
13C NMR
| Code | Gefor Ausso | Quell |
| H335 | Kann Atmungsirritatioun verursaachen | European Chemical Agency (ECHA) Classification & Labeling Inventory - Notified Classification and Labeling - Most common notifications, European Chemical Agency (ECHA) Classification & Labeling Inventory - Notified classification and labelling - most serious notifications |
| H319 | Verursacht sérieux Auge Reizung | European Chemical Agency (ECHA) Classification & Labeling Inventory - Notified Classification and Labeling - Most common notifications, European Chemical Agency (ECHA) Classification & Labeling Inventory - Notified classification and labelling - most serious notifications |
| H315 | Verursacht Hautirritatiounen | European Chemical Agency (ECHA) Classification & Labeling Inventory - Notified Classification and Labeling - Most common notifications, European Chemical Agency (ECHA) Classification & Labeling Inventory - Notified classification and labelling - most serious notifications |
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