![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)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![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) phosphoramidite] (ACI) Featured Image](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine.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)
CAS Registréierungsnummer
251647-55-9
H302
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 914,00 | - |
| pKa (virausgesot) | 9,16 ± 0,20 | Déi meescht sauer Temperatur: 25 °C |
Kanonesch SMILES
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6) 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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C (OC)C=C4)(C5) =CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI= 1S/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27- 26-57-7) 40(64-65(62-25-13-24-48) 54(31(3)4)32(5)6)38(63-45)28-61-47(33- 14-11-10-12-15-33,34-16-20-36(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10- 12,14-23,29-32,38,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56)/t38-,40-,41- ,45-,65?/m1/s1
InChI Schlëssel
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Aner Nimm fir dës Substanz
Guanosin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3'- [2-cyanoethyl bis(1-methylethyl)phosphoramidit] (9CI); 17: PN: US20030212017 SÄIT: 20 behaapt Rei; 18: PN: US20030211606 PAGE: 20
behaapt Sequenz; 19: PN: US20040005569 SÄIT: 22 behaapt Rei; 21: PN: US20040006030 SÄIT: 23 behaapt Rei; 21: PN: US20040014047 SÄIT: 21 behaapt Rei; 21: PN: US20040014049 SÄIT: 21 behaapt Reihenfolge; 22: PN: US20030198965 PAG
E: 20 behaapt Sequenz; 22: PN: US20040005570 SÄIT: 21 behaapt Rei; 22: PN: US20040014048 SÄIT: 21 behaapt Rei;
22: PN: US20040014050 SÄIT: 21 behaapt Rei; 23: PN: US20040005565 PAGE: 17- 22 behaapt Sequenz; 23: PN: US20040
014051 SÄIT: 23 behaapt sequenz; 24: PN: US20040014699 SÄIT: 21 behaapt Rei; 25: PN: US20040006029 SÄIT: 23 behaapt Rei; 25: PN: WO03106645 SÄIT: 73 behaapt Rei; 96: PN: US20040005707 PAGE: 21 behaapt Sequenz
Spektrum verfügbar
13 C NMR
Hetero NMR
Eegeschafte verfügbar
Biologesch
Chemesch
Lipinski
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 121 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2580 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 23500 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 7 1800 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 8 9800 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 9 2100 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 9 1300 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 82500 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 42200 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 7 860 | 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 | 164 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 3480 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 31700 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 9 6900 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 1,21 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 1,24 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 1,23 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 1,11 x 105 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 5 6900 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 10 600 | pH 10; Temperatur: 25 °C | (1) ACD |
| log D | 3,95 | pH 1; Temperatur: 25 °C | (1) ACD |
| log D | 5.28 | pH 2; Temperatur: 25 °C | (1) ACD |
| log D | 6.24 | pH 3; Temperatur: 25 °C | (1) ACD |
| log D | 6,73 | pH 4; Temperatur: 25 °C | (1) ACD |
| log D | 6,82 | pH 5; Temperatur: 25 °C | (1) ACD |
| log D | 6,83 | pH 6; Temperatur: 25 °C | (1) ACD |
| log D | 6,83 | pH 7; Temperatur: 25 °C | (1) ACD |
| log D | 6,79 | pH 8; Temperatur: 25 °C | (1) ACD |
| log D | 6,50 | pH 9; Temperatur: 25 °C | (1) ACD |
| log D | 5,77 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 6,837±0,764 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 4,4 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,34 g/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,016 g/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,7 x 10-3 g/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,7 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 4,6 x 10-4 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 4,4 x 10-4 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 4,5 x 10-4 g/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 4,9 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,0 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 | 4,5 x 10-4 g/l | Ongebuffert Waasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 4,8 x 10-7 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,7 x 10-4 mol/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,7 x 10-5 mol/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,9 x 10-6 mol/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Solubilitéit | 6,2 x 10-7 mol/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,0 x 10-7 mol/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,8 x 10-7 mol/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,9 x 10-7 mol/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,4 x 10-7 mol/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,1 x 10-6 mol/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,7 x 10-6 mol/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,9 x 10-7 mol/l | Ongebuffert Waasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 914,00 | ||
| pKa | 9,16 ± 0,20 | Déi meescht sauer Temperatur: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | 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 | 17 | (1) ACD | |
| H Donateuren | 2 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 19 | (1) ACD | |
| logP | 6,837±0,764 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 914,00 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Conditioun Quell |
| Polar Fläch Beräich | 203 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
| Code Hazard Statement Quell | |
| H302 schiedlech beim Schlucken | Europäesch Chemesch Agentur (ECHA) Klassifikatioun a Label Inventaire - Notifizéiert Klassifikatioun an Etikettéierung - meescht üblech Notifikatiounen, European Chemical Agency (ECHA) Klassifikatioun & Etikettéieren Inventar - Notifizéiert Klassifikatioun an Etikettéieren - déi seriöst Notifikatiounen |
![C47H51FN7O7P Adenosin, N-benzoyl-5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'- deoxy-2'-fluoro-, 3'- [2-cyanoethyl-N,N-bis(1-methylethyl) Phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine-300x300.png)
![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)
![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)
![C41H49FN5O8P Cytidin, N-acetyl-5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'- deoxy-2'-fluoro-, 3'- [2-cyanoethyl-N,N-bis(1-methylethyl) Phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.png)
![C39H46FN4O8P Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI) )](https://www.csnvchem.com/uploads/C39H46FN4O8P-Uridine-300x300.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)](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine-300x300.png)