![C39H46FN4O8P Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI) )](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI) ) Ausgezeechent Bild](https://www.csnvchem.com/uploads/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl-N,N-bis(1-methylethyl)phosphoramidit] (ACI) )
CAS Registréierungsnummer
146954-75-8
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 748,78 | - |
| pKa (virausgesot) | 9,39 ± 0,10 | Déi meescht sauer Temperatur: 25 °C |
Canonical SMILES
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= O)NC5=O)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](F)[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/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43- 23-21-34(45)42-38(43)46)25-49-39(28-11 -8-7-9-12-28,29-13-17-31(47-5)18- 14-29) 30-15-19-32(48-6) 20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1- 6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
InChI Schlëssel
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Aneren Numm fir dës Substanz
Uridin, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-, 3'- [2-cyanoethylbis(1-methylethyl)phosphoramidit] (9CI)
Eegeschafte verfügbar
Biologesch
Chemesch
Lipinski
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 457 | pH 1;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 3690 | pH 2;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 27700 | pH 3;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 82 900 | pH 4;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,04 x 105 | pH 5;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,06 x 105 | pH 6;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,06 x 105 | pH 7;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,02 x 105 | pH 8;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 76200 | pH 9;Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 22000 | pH 10;Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property Wäert Conditioun Quell |
| Koc 592 pH 1;Temperatur: 25 °C (1) ACD |
| Koc 4790 pH 2;Temperatur: 25 °C (1) ACD |
| Koc 36000 pH 3;Temperatur: 25 °C (1) ACD |
| Koc 1,07 x 105 pH 4;Temperatur: 25 °C (1) ACD |
| Koc 1,34 x 105 pH 5;Temperatur: 25 °C (1) ACD |
| Koc 1,38 x 105 pH 6;Temperatur: 25 °C (1) ACD |
| Koc 1,37 x 105 pH 7;Temperatur: 25 °C (1) ACD |
| Koc 1,33 x 105 pH 8;Temperatur: 25 °C (1) ACD |
| Koc 98800 pH 9;Temperatur: 25 °C (1) ACD |
| Koc 28600 pH 10;Temperatur: 25 °C (1) ACD |
| logD 4,55 pH 1;Temperatur: 25 °C (1) ACD |
| logD 5,46 pH 2;Temperatur: 25 °C (1) ACD |
| logD 6,33 pH 3;Temperatur: 25 °C (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| log D | 6,81 | pH 4;Temperatur: 25 °C | (1) ACD |
| log D | 6,91 | pH 5;Temperatur: 25 °C | (1) ACD |
| log D | 6,92 | pH 6;Temperatur: 25 °C | (1) ACD |
| log D | 6,92 | pH 7;Temperatur: 25 °C | (1) ACD |
| log D | 6,90 | pH 8;Temperatur: 25 °C | (1) ACD |
| log D | 6,77 | pH 9;Temperatur: 25 °C | (1) ACD |
| log D | 6.23 | pH 10;Temperatur: 25 °C | (1) ACD |
| logP | 6,918±0,641 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 2,2 x 10-5 g/l | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,1 x 10-3 g/l | pH 1;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 6,3 x 10-4 g/L | pH 2;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 8,2 x 10-5 g/l | pH 3;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,8 x 10-5 g/l | pH 4;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,2 x 10-5 g/l | pH 5;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,2 x 10-5 g/l | pH 6;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,2 x 10-5 g/l | pH 7;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,2 x 10-5 g/l | pH 8;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,0 x 10-5 g/L | pH 9;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,0 x 10-4 g/l | pH 10;Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 2,2 x 10-5 g/l | Ongebuffert Waasser pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 2,9 x 10-8 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,8 x 10-6 mol/l | pH 1;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 8,4 x 10-7 mol/l | pH 2;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,1 x 10-7 mol/l | pH 3;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,7 x 10-8 mol/l | pH 4;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,0 x 10-8 mol/l | pH 5;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,9 x 10-8 mol/l | pH 6;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,9 x 10-8 mol/l | pH 7;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,0 x 10-8 mol/l | pH 8;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,0 x 10-8 mol/l | pH 9;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,4 x 10-7 mol/l | pH 10;Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 2,9 x 10-8 mol/l | Ongebuffert Waasser pH 7,00;Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molekulare Gewiicht | 748,78 | ||
| 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 | 17 | (1) ACD | |
| H Akzepter | 12 | (1) ACD | |
| H Donateuren | 1 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 13 | (1) ACD | |
| logP | 6,918±0,641 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 748,78 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Conditioun Quell |
| Polar Fläch Beräich | 145 A2 | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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