![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)phosphoramidit] (ACI) Ausgewielt Bild](https://www.csnvchem.com/uploads/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-Registrierungsnummer
163759-94-2
| Schlësselphysikalesch Eegeschaften | Wäert | Zoustand |
| Molekulargewiicht | 922.01 | - |
| pKa (Virausbezunnen) | 8,59±0,40 | Säurege Temperatur: 25 °C |
Kanonesch Laachen
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
Isomeresch Laachen
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-cyanoethylbis(1-methylethyl)phosphoramidit] (9CI); 12: PN: WO03084478 Säit: 57 ugefrote DNA; 14: PN: US20030170636 Säit: 17 ugefrote DNA; 15: PN: U
S20030211606 Säit: 19 ugefrote DNA; 15: PN: US20030212017 Säit: 19 ugefrote DNA; 16: PN: US20040005569 Säit: 22 ugefrote DNA; 17: PN: US20040006030 Säit: 23 ugefrote DNA; 17: PN: US20040014049 Säit: 20 ugefrote DNA; 18: PN: US20040014047 Säit E: 20 ugefrote DNA; 18: PN: US20040014048 Säit: 20 ugefrote DNA; 18: PN: US20040014050 Säit: 20 ugefrote DNA; 19: PN: U
S20030171313 Säit: 9 ugefrot DNA; 19: PN: US20030198965 Säit: 20 ugefrot DNA; 19: PN: US20040005565 Säit: 17- 22 ugefrot DNA; 19: PN: US20040005570 Säit: 20 ugefrot DNA; 19: PN: US20040014051 Säit: 22 ugefrot DNA; 20: PN: US20040014699 Säit
E: 20 ugefrote DNA; 21: PN: US20040006029 Säit: 23 ugefrote DNA; 21: PN: WO03106645 Säit: 72 ugefrote DNA; 61: PN: US20030
166592 Säit: 15 ugefrot DNA; 7: PN: WO2005006958 Säit: 62 ugefrot DNA; 84: PN: US20040171566 Säit: 18 ugefrot DNA; 92:
PN: US20040005707 Säit: 20 ugefrot DNA; 9: PN: WO2005007825 Säit: 62 ugefrot DNA;N4-Benzoyl-2′ -O-methoxyethyl-5-O- Dimethoxytrityl-5-methylcytidin-3'-phosphoramidit;N4-Benzoyl-2′ -O-methoxyethyl-5′-O-dimethoxytrityl-5-methylcytidin-3'-amidit
Spektren verfügbar
13C NMR
Hetero-NMR
Verfügbar Immobilien
Biologesch
Chemesch
Lipinski
Strukturbezunnen
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 171 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1250 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 47600 | 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 | 30800 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der 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 |
| logD | 4,48 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 5.34 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 6,92 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 8.06 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 8.36 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 8,39 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 8,37 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 8.14 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 7,46 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 6,73 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 8,401±0,723 | Temperatur: 25 °C | (1) ACD |
| Masse intrinsesch Léislechkeet | 1,4 x 10⁻⁴ g/L | Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,1 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,16 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 4,1 x 10-3 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 3,0 x 10⁻⁴ g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,5 x 10-4 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,4 x 10⁻⁴ g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,5 x 10-4 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 2,5 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,2 x 10-3 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 6,3 x 10-3 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,5 x 10-4 g/L | Ongepuffert Waasser pH 6,97; Temperatur: 25 °C | (1) ACD |
| Molar intrinsesch Léislechkeet | 1,5 x 10⁻⁶ mol/L | Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,2 x 10⁻³ mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Löslechkeet | 1,7 x 10⁻⁴ mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 4,4 x 10⁻⁶ mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 3,2 x 10⁻⁶ mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,6 x 10-7 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,5 x 10⁻⁶ mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,6 x 10-7 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,7 x 10⁻⁶ mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,3 x 10⁻⁶ mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 6,8 x 10⁻⁶ mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,6 x 10-7 mol/L | Ongepuffert Waasser pH 6,97; Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 922.01 | ||
| pKa | 8,59±0,40 | Säurege Temperatur: 25 °C | (1) ACD |
| pKa | 3,87±0,20 | Basis Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Bindungen | 22 | (1) ACD | |
| H-Akzeptoren | 15 | (1) ACD | |
| H Spender | 1 | (1) ACD | |
| H Donateur/Akzeptant Zomm | 16 | (1) ACD | |
| logP | 8,401±0,723 | Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 922.01 |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Quell vun der Konditioun |
| Polarfläche | 176 A2 | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H NMR
13C NMR
![C42H52N5O9P Cytidin, N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine-300x300.png)
![C41H49FN5O8P Cytidin, N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluor-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.png)
![C45H56N7O9P Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C45H56N7O9P-300x300.png)
![C44H53FN7O8 Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C44H53FN7O8-300x300.png)
![C47H51FN7O7P Adenosin, N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluor-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine-300x300.png)
![C47H60N7O10P Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine-300x300.png)