![C39H46FN4O8P Uridino, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -deoksi-2′ – fluoro-, 3′ – [2-cianoetil N,N-bis(1-metiletil)fosforamidito] (ACI )](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P Uridino, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -deoksi-2′ – fluoro-, 3′ – [2-cianoetil N,N-bis(1-metiletil)fosforamidito] (ACI ) Elstara Bildo](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Uridino, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -deoksi-2′ – fluoro-, 3′ – [2-cianoetil N,N-bis(1-metiletil)fosforamidito] (ACI )
CAS-Registra Numero
146954-75-8
| Ŝlosilaj Fizikaj Propraĵoj | Valoro | Kondiĉo |
| Molekula pezo | 748,78 | - |
| pKa (Antaŭvidita) | 9,39±0,10 | Plej Acida Temp: 25 °C |
Kanonaj RIDETOJ
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
Isomeraj RIDETOJ
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 Ŝlosilo
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Alia Nomo por ĉi tiu Substanco
Uridino, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -deoksi-2′ -fluoro-, 3′ - [2-cianoetil bis(1-metiletil)fosforamidito] (9CI)
Disponeblaj posedaĵoj
Biologia
Kemiaĵo
Lipinski
Strukturo Rilata
| Proprieto | Valoro | Kondiĉo | Fonto |
| Biokoncentra Faktoro | 457 | pH 1; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 3690 | pH 2; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 27700 | pH 3; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 82900 | pH 4; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,04 x 105 | pH 5; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,06 x 105 | pH 6; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,06 x 105 | pH 7; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 1,02 x 105 | pH 8; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 76200 | pH 9; Temperaturo: 25 °C | (1) ACD |
| Biokoncentra Faktoro | 22000 | pH 10; Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
| Propraĵo Valoro Kondiĉo Fonto |
| Koc 592 pH 1; Temp: 25 °C (1) ACD |
| Koc 4790 pH 2; Temp: 25 °C (1) ACD |
| Koc 36000 pH 3; Temp: 25 °C (1) ACD |
| Koc 1,07 x 105 pH 4; Temp: 25 °C (1) ACD |
| Koc 1,34 x 105 pH 5; Temp: 25 °C (1) ACD |
| Koc 1,38 x 105 pH 6; Temp: 25 °C (1) ACD |
| Koc 1,37 x 105 pH 7; Temp: 25 °C (1) ACD |
| Koc 1,33 x 105 pH 8; Temp: 25 °C (1) ACD |
| Koc 98800 pH 9; Temp: 25 °C (1) ACD |
| Koc 28600 pH 10; Temp: 25 °C (1) ACD |
| logD 4,55 pH 1; Temp: 25 °C (1) ACD |
| logD 5,46 pH 2; Temp: 25 °C (1) ACD |
| logD 6,33 pH 3; Temp: 25 °C (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| logD | 6.81 | pH 4; Temperaturo: 25 °C | (1) ACD |
| logD | 6.91 | pH 5; Temperaturo: 25 °C | (1) ACD |
| logD | 6.92 | pH 6; Temperaturo: 25 °C | (1) ACD |
| logD | 6.92 | pH 7; Temperaturo: 25 °C | (1) ACD |
| logD | 6.90 | pH 8; Temperaturo: 25 °C | (1) ACD |
| logD | 6.77 | pH 9; Temperaturo: 25 °C | (1) ACD |
| logD | 6.23 | pH 10; Temperaturo: 25 °C | (1) ACD |
| logP | 6,918±0,641 | Temperaturo: 25 °C | (1) ACD |
| Masa Intrinseka Solvebleco | 2,2 x 10-5 g/L | Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 5,1 x 10-3 g/L | pH 1; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 6,3 x 10-4 g/L | pH 2; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 8,2 x 10-5 g/L | pH 3; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,8 x 10-5 g/L | pH 4; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,2 x 10-5 g/L | pH 5; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,2 x 10-5 g/L | pH 6; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,2 x 10-5 g/L | pH 7; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,2 x 10-5 g/L | pH 8; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 3,0 x 10-5 g/L | pH 9; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 1,0 x 10-4 g/L | pH 10; Temperaturo: 25 °C | (1) ACD |
| Masa Solveco | 2,2 x 10-5 g/L | Nebufrita Akvo pH 7.00; Temperaturo: 25 °C | (1) ACD |
| Molara Intrinseka Solvebleco | 2,9 x 10-8 mol/L | Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 6,8 x 10-6 mol/L | pH 1; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 8,4 x 10-7 mol/L | pH 2; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,1 x 10-7 mol/L | pH 3; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 3,7 x 10-8 mol/L | pH 4; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 3,0 x 10-8 mol/L | pH 5; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-8 mol/L | pH 6; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-8 mol/L | pH 7; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 3,0 x 10-8 mol/L | pH 8; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 4,0 x 10-8 mol/L | pH 9; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 1,4 x 10-7 mol/L | pH 10; Temperaturo: 25 °C | (1) ACD |
| Molara Solvebleco | 2,9 x 10-8 mol/L | Nebufrita Akvo pH 7.00; Temperaturo: 25 °C | (1) ACD |
| Proprieto | Valoro | Kondiĉo | Fonto |
| Molekula pezo | 748,78 | ||
| pKa | 9,39±0,10 | Plej Acida Temp: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Plej Baza Temperaturo: 25 °C | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
| Proprieto | Valoro | Kondiĉo | Fonto |
| Libere Rotacieblaj Obligacioj | 17 | (1) ACD | |
| H Akceptantoj | 12 | (1) ACD | |
| H Donantoj | 1 | (1) ACD | |
| H Sumo de donacanto/akceptanto | 13 | (1) ACD | |
| logP | 6,918±0,641 | Temperaturo: 25 °C | (1) ACD |
| Molekula pezo | 748,78 |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
| Proprieto | Valoro | Kondiĉo Fonto |
| Polusa Surfacareo | 145 A2 | (1) ACD |
(1) Kalkulite uzante Advanced Chemistry Development (ACD/Labs) Programaro V11.02 (© 1994-2023 ACD/Labs)
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