C39H46FN4O8P Uridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -dezoksi-2′ – fliyoro-, 3′ – [2-syanoetil N,N-bis(1-metiletil)fosforamidit] (ACI)
Nimewo Rejis CAS la
146954-75-8
Pwopriyete fizik kle yo | Valè | Kondisyon |
Pwa molekilè | 748.78 | - |
pKa (Predi) | 9.39±0.10 | Tanperati ki pi asid: 25 °C |
SOURI Kanonik
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
SOURI izomerik
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)42-42-48) -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-3 0/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
Kle InChI
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Lòt Non pou Sibstans sa a
Uridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -dezoksi-2′ -fluoro-, 3′ - [2-syanoetil bis(1-metiletil)fosforamidit] (9CI)
Pwopriyete ki disponib
Byolojik
Chimik
Lipinski
Estrikti ki gen rapò
Pwopriyete | Valè | Kondisyon | Sous |
Faktè byokonsantrasyon | 457 | pH 1; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 3690 | pH 2; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 27700 | pH 3; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 82900 | pH 4; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 1.04 x 105 | pH 5; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 1.06 x 105 | pH 6; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 1.06 x 105 | pH 7; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 1.02 x 105 | pH 8; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 76200 | pH 9; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 22000 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sous Kondisyon Valè Pwopriyete a |
Koc 592 pH 1; Tanperati: 25 °C (1) ACD |
Koc 4790 pH 2; Tanperati: 25 °C (1) ACD |
Koc 36000 pH 3; Tanperati: 25 °C (1) ACD |
Koc 1.07 x 105 pH 4; Tanperati: 25 °C (1) ACD |
Koc 1.34 x 105 pH 5; Tanperati: 25 °C (1) ACD |
Koc 1.38 x 105 pH 6; Tanperati: 25 °C (1) ACD |
Koc 1.37 x 105 pH 7; Tanperati: 25 °C (1) ACD |
Koc 1.33 x 105 pH 8; Tanperati: 25 °C (1) ACD |
Koc 98800 pH 9; Tanperati: 25 °C (1) ACD |
Koc 28600 pH 10; Tanperati: 25 °C (1) ACD |
logD 4.55 pH 1; Tanperati: 25 °C (1) ACD |
logD 5.46 pH 2; Tanperati: 25 °C (1) ACD |
logD 6.33 pH 3; Tanperati: 25 °C (1) ACD |
Pwopriyete | Valè | Kondisyon | Sous |
logD | 6.81 | pH 4; Tanperati: 25 °C | (1) ACD |
logD | 6.91 | pH 5; Tanperati: 25 °C | (1) ACD |
logD | 6.92 | pH 6; Tanperati: 25 °C | (1) ACD |
logD | 6.92 | pH 7; Tanperati: 25 °C | (1) ACD |
logD | 6.90 | pH 8; Tanperati: 25 °C | (1) ACD |
logD | 6.77 | pH 9; Tanperati: 25 °C | (1) ACD |
logD | 6.23 | pH 10; Tanperati: 25 °C | (1) ACD |
logP | 6.918±0.641 | Tanperati: 25 °C | (1) ACD |
Soliblite intrinsèque nan mas | 2.2 x 10-5 g/L | Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 5.1 x 10-3 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 6.3 x 10-4 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 8.2 x 10-5 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.8 x 10-5 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.2 x 10-5 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.2 x 10-5 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.2 x 10-5 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.2 x 10-5 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 3.0 x 10-5 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 1.0 x 10-4 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.2 x 10-5 g/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
Soliblite intrinsèque molè | 2.9 x 10-8 mol/L | Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 6.8 x 10-6 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 8.4 x 10-7 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 1.1 x 10-7 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 3.7 x 10-8 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 3.0 x 10-8 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 2.9 x 10-8 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 2.9 x 10-8 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 3.0 x 10-8 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 4.0 x 10-8 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 1.4 x 10-7 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 2.9 x 10-8 mol/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
Pwopriyete | Valè | Kondisyon | Sous |
Pwa molekilè | 748.78 | ||
pKa | 9.39±0.10 | Tanperati ki pi asid: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Tanperati debaz ki pi wo a: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Pwopriyete | Valè | Kondisyon | Sous |
Obligasyon ki ka vire lib | 17 | (1) ACD | |
Akseptè H | 12 | (1) ACD | |
Donatè H | 1 | (1) ACD | |
Sòm Donè/Akseptè H | 13 | (1) ACD | |
logP | 6.918±0.641 | Tanperati: 25 °C | (1) ACD |
Pwa molekilè | 748.78 |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Pwopriyete | Valè | Sous Kondisyon |
Sifas polè | 145 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)