![C50H60N5O10P Cytidin, N-benzoyl-5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O- (2-methoxyethyl)- 5-methyl-, 3'- [2-cyanoethyl-N,N-bis (1-Methylethyl)phosphoramidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidin, N-benzoyl-5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O- (2-methoxyethyl)- 5-methyl-, 3'- [2-cyanoethyl-N,N-bis (1-methylethyl) phosphoramidite] (ACI) Ausgezeechent Bild](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidin, N-benzoyl-5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O- (2-methoxyethyl)- 5-methyl-, 3'- [2-cyanoethyl-N,N-bis (1-Methylethyl)phosphoramidit] (ACI)
CAS Registréierungsnummer
163759-94-2
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 922.01 | - |
| pKa (virausgesot) | 8,59 ± 0,40 | Déi meescht sauer Temperatur: 25 °C |
Kanonesch SMILES
N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C
Isomeric SMILES
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)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/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-10- 14-19-38,39-20-24-41 (59-7) 25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45(44)61-31-30-58-6)54-32-36(5) )46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-,45-,48-,66?/m1/s1
InChI Schlëssel
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Aner Nimm fir dës Substanz
Cytidin,N-benzoyl-5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl-, 3'- [2-cyanoethyl bis(1-methylethyl) phosphoramidit] (9CI); 12: PN: WO03084478 SIDE: 57 behaapt DNA; 14: PN: US20030170636 PAGE: 17 behaapt DNA; 15: PN: U
S20030211606 PAGE: 19 behaapt DNA; 15: PN: US20030212017 PAGE: 19 behaapt DNA; 16: PN: US20040005569 PAGE: 22 behaapt DNA; 17: PN: US20040006030 PAGE: 23 behaapt DNA; 17: PN: US20040014049 PAGE: 20 behaapt DNA; 18: PN: US20040014047 PAG E: 20 behaapt DNA; 18: PN: US20040014048 PAGE: 20 behaapt DNA; 18: PN: US20040014050 PAGE: 20 behaapt DNA; 19: PN: U
S20030171313 PAGE: 9 behaapt DNA; 19: PN: US20030198965 PAGE: 20 behaapt DNA; 19: PN: US20040005565 PAGE: 17- 22 behaapt DNA; 19: PN: US20040005570 PAGE: 20 behaapt DNA; 19: PN: US20040014051 PAGE: 22 behaapt DNA; 20: PN: US20040014699 PAG
E: 20 behaapt DNA; 21: PN: US20040006029 SÄIT: 23 behaapt DNA; 21: PN: WO03106645 SÄIT: 72 behaapt DNA; 61: PN: US20030
166592 SÄIT: 15 behaapt DNA; 7: PN: WO2005006958 SÄIT: 62 behaapt DNA; 84: PN: US20040171566 PAGE: 18 behaapt DNA; 92:
PN: US20040005707 PAGE: 20 behaapt DNA; 9: PN: WO2005007825 SÄIT: 62 behaapt DNA;N4-Benzoyl-2'-O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidin-3'-phosphoramidite;N4-Benzoyl-2'-O-methoxyethyl-5′ -O-dimethoxytrityl-5-methylcytidin-3'-amidit
Spektrum verfügbar
13 C NMR
Hetero NMR
Eegeschafte verfügbar
Biologesch
Chemesch
Lipinski
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 171 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1250 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 47 600 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 6,44 x 105 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,00 x 106 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,00 x 106 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,00 x 106 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 7,79 x 105 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,63 x 105 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 30 800 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 106 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 773 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 29500 | pH 3; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 3,99 x 105 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 8,02 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 8,70 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 8,16 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 4,83 x 105 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 1,01 x 105 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 19100 | pH 10; Temperatur: 25 °C | (1) ACD |
| log D | 4,48 | pH 1; Temperatur: 25 °C | (1) ACD |
| log D | 5.34 | pH 2; Temperatur: 25 °C | (1) ACD |
| log D | 6,92 | pH 3; Temperatur: 25 °C | (1) ACD |
| log D | 8.06 | pH 4; Temperatur: 25 °C | (1) ACD |
| log D | 8,36 | pH 5; Temperatur: 25 °C | (1) ACD |
| log D | 8,39 | pH 6; Temperatur: 25 °C | (1) ACD |
| log D | 8,37 | pH 7; Temperatur: 25 °C | (1) ACD |
| log D | 8.14 | pH 8; Temperatur: 25 °C | (1) ACD |
| log D | 7.46 | pH 9; Temperatur: 25 °C | (1) ACD |
| log D | 6,73 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 8,401±0,723 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 1,4 x 10-4 g/l | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,1 g/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,16 g/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 4,1 x 10-3 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,0 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,5 x 10-4 g/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,4 x 10-4 g/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,5 x 10-4 g/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,5 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,2 x 10-3 g/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 6,3 x 10-3 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,5 x 10-4 g/l | Ongebuffert Waasser pH 6,97; Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 1,5 x 10-7 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,2 x 10-3 mol/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Solubilitéit | 1,7 x 10-4 mol/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,4 x 10-6 mol/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,2 x 10-7 mol/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,6 x 10-7 mol/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,5 x 10-7 mol/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,6 x 10-7 mol/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,7 x 10-7 mol/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,3 x 10-6 mol/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,8 x 10-6 mol/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,6 x 10-7 mol/l | Ongebuffert Waasser pH 6,97; Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 922.01 | ||
| pKa | 8,59 ± 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)
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Obligatiounen | 22 | (1) ACD | |
| H Akzepter | 15 | (1) ACD | |
| H Donateuren | 1 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 16 | (1) ACD | |
| logP | 8,401±0,723 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 922.01 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Conditioun Quell |
| Polar Fläch Beräich | 176 A2 | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektrum verfügbar
1H NMR
13 C NMR
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