![C40H49N4O9P Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-, 3'- [2-cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-, 3'- [2-cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI) Featured Image](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-, 3'- [2-cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI)
CAS Registréierungsnummer
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand | |
| Molekulare Gewiicht | 760,81 | - | |
| pKa (virausgesot) | 9,39 ± 0,10 | Déi meescht sauer Temperatur: 25 °C |
Canonical SMILES
N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)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](OC)[C@@ H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC) C=C4)C5=CC=CC = C5
InChI
InChI= 1S/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7) 43-24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5) )19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,36-38H,11,25-26H2 1-7H3,
(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1
InChI Schlëssel
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Aneren Numm fir dës Substanz
Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-, 3'- [2-cyanoethyl bis(1-methylethyl)phosphoramidit] (9CI)
Spektrum verfügbar
Mass
Eegeschafte verfügbar
Biologesch
Chemesch
Lipinski
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 254 | pH 1;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2050 | pH 2;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 15400 | pH 3;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 46 000 | pH 4;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 57500 | pH 5;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 58 900 | pH 6;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 58 900 | pH 7;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 5 6800 | pH 8;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 42 300 | pH 9;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 12200 | 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 | 389 | pH 1;Temperatur: 25 °C | (1) ACD |
| Koc | 3140 | pH 2;Temperatur: 25 °C | (1) ACD |
| Koc | 23 600 | pH 3;Temperatur: 25 °C | (1) ACD |
| Koc | 7 0500 | pH 4;Temperatur: 25 °C | (1) ACD |
| Koc | 88100 | pH 5;Temperatur: 25 °C | (1) ACD |
| Koc | 9 0300 | pH 6;Temperatur: 25 °C | (1) ACD |
| Koc | 90 200 | pH 7;Temperatur: 25 °C | (1) ACD |
| Koc | 87100 | pH 8;Temperatur: 25 °C | (1) ACD |
| Koc | 64800 | pH 9;Temperatur: 25 °C | (1) ACD |
| Koc | 18700 | pH 10;Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| log D | 4.21 | pH 1;Temperatur: 25 °C | (1) ACD |
| log D | 5.12 | pH 2;Temperatur: 25 °C | (1) ACD |
| log D | 6.00 | pH 3;Temperatur: 25 °C | (1) ACD |
| log D | 6,47 | pH 4;Temperatur: 25 °C | (1) ACD |
| log D | 6,57 | pH 5;Temperatur: 25 °C | (1) ACD |
| log D | 6,58 | pH 6;Temperatur: 25 °C | (1) ACD |
| log D | 6,58 | pH 7;Temperatur: 25 °C | (1) ACD |
| log D | 6,56 | pH 8;Temperatur: 25 °C | (1) ACD |
| log D | 6,44 | pH 9;Temperatur: 25 °C | (1) ACD |
| log D | 5,90 | pH 10;Temperatur: 25 °C | (1) ACD |
| logP | 6,581±0,646 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 8,4 x 10-5 g/l | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,019 g/l | pH 1;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,4 x 10-3 g/L | pH 2;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,1 x 10-4 g/l | pH 3;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,1 x 10-4 g/l | pH 4;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 8,4 x 10-5 g/l | pH 5;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 8,4 x 10-5 g/l | pH 6;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 8,4 x 10-5 g/l | pH 7;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 8,4 x 10-5 g/l | pH 8;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,1 x 10-4 g/l | pH 9;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 4,0 x 10-4 g/l | pH 10;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 8,4 x 10-5 g/l | Ongebuffert Waasser pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 1,1 x 10-7 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,5 x 10-5 mol/l | pH 1;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,1 x 10-6 mol/l | pH 2;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,1 x 10-7 mol/l | pH 3;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,4 x 10-7 mol/l | pH 4;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,1 x 10-7 mol/l | pH 5;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,1 x 10-7 mol/l | pH 6;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,1 x 10-7 mol/l | pH 7;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,1 x 10-7 mol/l | pH 8;Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Solubilitéit | 1,5 x 10-7 mol/l | pH 9;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,2 x 10-7 mol/l | pH 10;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,1 x 10-7 mol/l | Ongebuffert Waasser pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 760,81 | ||
| pKa | 9,39 ± 0,10 | 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 | 18 | (1) ACD | |
| H Akzepter | 13 | (1) ACD | |
| H Donateuren | 1 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 14 | (1) ACD | |
| logP | 6,581±0,646 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 760,81 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Conditioun Quell |
| Polar Fläch Beräich | 155 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 | Gefor Ausso | Quell |
| H335 | Kann Atmungsirritatioun verursaachen | Expert Curated |
| H331 | Gëfteg wann inhaléiert | Expert Curated |
| H319 | Verursacht sérieux Auge Reizung | Expert Curated |
| H315 | Verursacht Hautirritatiounen | Expert Curated |
| Code | Gefor Ausso | Quell |
| H311 | Gëfteg am Kontakt mat der Haut | Expert Curated |
| H301+H311+H331 | Gëfteg wann geschluecht, am Kontakt mat der Haut oder vun inhaléiert | Expert Curated |
| H301 | Gëfteg wann geschluecht | Expert Curated |
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