![C34H39N3O8 Cytidin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Cytidin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9CI, ACI) Featured Image](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cytidin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl- (9CI, ACI)
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 617,69 | - |
| Kachpunkt (virausgesot) | 762,6±70,0 °C | Press: 760 Torr |
| Dicht (virausgesot) | 1,27 ± 0,1 g/cm3 | Temperatur: 20 °C;Press: 760 Torr |
| pKa (virausgesot) | 13,31 ± 0,70 | Déi meescht sauer Temperatur: 25 °C |
Canonical SMILES O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
Isomeresch SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32) 21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24)25-12-16-27(42-4) )17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-, 32-/m1/s1
InChI Schlëssel
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Aner Nimm fir dës Substanz
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methylcytidin (ACI);11: PN: US20030170636 PAGE: 17 behaapt RNA;12: PN: US20030211606 SIDE: 18 behaapt R NA;12: PN: US20030212017 SIDE: 19 behaapt R NA;14: PN: US20040005569 PAG E: 21 behaapt R NA;15: PN: US20040005565 PAGE: 17- 22 behaapt RNA;15: PN: US20040005570 SIDE: 19 behaapt R NA;15: PN: U S20040006030 SIDE: 22 behaapt R NA;15: PN: US20040014048 SIDE: 19 behaapt R NA;16: PN: US20030171313 PAGE: 9 behaapt RNA;16: PN: US20030198965 SIDE: 19 behaapt R NA;16: PN: US20040014047 SIDE: 19 behaapt R NA;16: PN: US20040014049 PAGE:
19 behaapt RNA;17: PN: US20040014051 SIDE: 21 behaapt R NA;17: PN: US20040014699 SIDE: 19 behaapt R NA;17: PN: W
O03106645 PAGE: 69 behaapt R NA;18: PN: US20040006029 SIDE: 22 behaapt R NA;2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5-methylcytidin;58: PN: US20030166592 SIDE: 15 behaapt R NA;5: PN: WO2005006958 SIDE: 61 behaapt R NA;7: PN: WO20050 07825 SIDE: 61 behaapt R NA;82: PN: US20040171566 SIDE: 18 behaapt R NA;89: PN: US20040005707 SIDE: 19 behaapt R NA;9: PN: WO03084478 SIDE: 56 behaapt R NA
| Eegeschafte verfügbar |
| Biologesch |
| Chemesch |
| Dicht |
| Lipinski |
| Struktur Zesummenhang |
| Thermesch |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 1,56 | pH 1;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,99 | pH 2;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 6.19 | pH 3;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 38,0 | pH 4;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 116 | pH 5;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 146 | pH 6;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 150 | pH 7;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 151 | pH 8;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 151 | pH 9;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 151 | 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 | 13.0 | pH 1;Temperatur: 25 °C | (1) ACD |
| Koc | 16.6 | pH 2;Temperatur: 25 °C | (1) ACD |
| Koc | 51,8 | pH 3;Temperatur: 25 °C | (1) ACD |
| Koc | 318 | pH 4;Temperatur: 25 °C | (1) ACD |
| Koc | 966 | pH 5;Temperatur: 25 °C | (1) ACD |
| Koc | 1220 | pH 6;Temperatur: 25 °C | (1) ACD |
| Koc | 1260 | pH 7;Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 1260 | pH 8;Temperatur: 25 °C | (1) ACD |
| Koc | 1260 | pH 9;Temperatur: 25 °C | (1) ACD |
| Koc | 1260 | pH 10;Temperatur: 25 °C | (1) ACD |
| log D | 1.18 | pH 1;Temperatur: 25 °C | (1) ACD |
| log D | 1.29 | pH 2;Temperatur: 25 °C | (1) ACD |
| log D | 1.78 | pH 3;Temperatur: 25 °C | (1) ACD |
| log D | 2,57 | pH 4;Temperatur: 25 °C | (1) ACD |
| log D | 3.05 | pH 5;Temperatur: 25 °C | (1) ACD |
| log D | 3.16 | pH 6;Temperatur: 25 °C | (1) ACD |
| log D | 3.17 | pH 7;Temperatur: 25 °C | (1) ACD |
| log D | 3.17 | pH 8;Temperatur: 25 °C | (1) ACD |
| log D | 3.17 | pH 9;Temperatur: 25 °C | (1) ACD |
| log D | 3.17 | pH 10;Temperatur: 25 °C | (1) ACD |
| logP | 3,169 ± 0,598 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 5,2 x 10-3 g/l | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,51 g/l | pH 1;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,40 g/l | pH 2;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,13 g/l | pH 3;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,020 g/l | pH 4;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 6,8 x 10-3 g/l | pH 5;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,4 x 10-3 g/L | pH 6;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,3 x 10-3 g/l | pH 7;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,2 x 10-3 g/l | pH 8;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,2 x 10-3 g/l | pH 9;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,2 x 10-3 g/l | pH 10;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,3 x 10-3 g/l | Ongebuffert Waasser pH 7,05;Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 8,4 x 10-6 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 8,2 x 10-4 mol/l | pH 1;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,4 x 10-4 mol/l | pH 2;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,1 x 10-4 mol/l | pH 3;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,3 x 10-5 mol/l | pH 4;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,1 x 10-5 mol/l | pH 5;Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Solubilitéit | 8,7 x 10-6 mol/l | pH 6;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 8,5 x 10-6 mol/l | pH 7;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 8,4 x 10-6 mol/l | pH 8;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 8,4 x 10-6 mol/l | pH 9;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 8,4 x 10-6 mol/l | pH 10;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 8,5 x 10-6 mol/l | Ongebuffert Waasser pH 7,05;Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 617,69 | ||
| pKa | 13,31 ± 0,70 | Déi meescht sauer Temperatur: 25 °C | (1) ACD |
| pKa | 4,58±0,10 | Déi meescht Basistemperatur: 25 °C | (1) ACD |
| Damp Drock | 1,89 x 10-24 Torr | Temperatur: 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 | 1,27 ± 0,1 g/cm3 | Temperatur: 20 °C;Press: 760 Torr | (1) ACD |
| Molar Volumen | 483,8 ± 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 | 14 | (1) ACD | |
| H Akzepter | 11 | (1) ACD | |
| H Donateuren | 3 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 14 | (1) ACD | |
| logP | 3,169 ± 0,598 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 617,69 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Polar Fläch Beräich | 134 A2 | (1) ACD | |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermesch
| Immobilie | Wäert | Zoustand | Quell |
| Kachpunkt | 762,6±70,0 °C | Press: 760 Torr | (1) ACD |
| Enthalpie vun der Verdampfung | 116,53±3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 415,0±35,7 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektrum verfügbar
1H NMR
13C NMR
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