C43H55N4O10P Uridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O-(2-metoksietil)-5-metil-, 3′ – [2-syanoetil N,N-bis(1-metiletil)fosfò amidit] (ACI)
Nimewo Rejis CAS la
163878-63-5
H302
Pwopriyete fizik kle yo | Valè | Kondisyon |
Pwa molekilè | 818.89 | - |
pKa (Predi) | 9.55±0.10 | Tanperati ki pi asid: 25 °C |
SOURI Kanonik
N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)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](OCCOC)[C@@H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5
InChI
InChI = 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25-50-6)46-27-314)(54)46-27-314)(56-41) 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
Kle InChI
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Lòt Non pou Sibstans sa a
Uridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O-(2-metoksietil)- 5-metil-, 3′ - [2-syanoetil bis(1-metiletil)fosfò
amidit] (9CI); 10: PN: US20030212017 PAJ: 18 ARN reklame; 11: PN: US20030211606 PAJ: 18 ARN reklame; 13: PN: US20040
005569 PAJ: 21 ARN reklame; 13: PN: US20040006030 PAJ: 22 ARN reklame; 13: PN: US20040014048 PAJ: 19 ARN reklame; 13: PN: US20040014049 PAJ: 19 ARN reklame; 14: PN: US20030198965 PAJ: 19 ARN reklame; 14: PN: US20040005565 PAJ: 17- 22 ARN reklame; 14: PN: US20040005570 PAJ: 19 ARN reklame; 14: PN: US20040014047 PAJ: 19 ARN reklame; 14: PN: US20040
014699 PAJ: 19 ARN reklame; 15: PN: US20040014050 PAJ: 19 ARN reklame; 15: PN: US20040014051 PAJ: 21 ARN reklame; 15:
PN: WO03106645 PAJ: 69 ARN reklame; 16: PN: US20040006029 PAJ: 22 ARN reklame; 87: PN: US20040005707 PAJ: 19 ARN reklame
Espèk disponib
1H RMN
13C RMN
Etero RMN
Pwopriyete ki disponib
Byolojik
Chimik
Lipinski
Estrikti ki gen rapò
Pwopriyete | Valè | Kondisyon | Sous |
Faktè byokonsantrasyon | 348 | pH 1; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 2810 | pH 2; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 21100 | pH 3; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 63100 | pH 4; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 78800 | pH 5; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 80800 | pH 6; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 80800 | pH 7; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 78800 | pH 8; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 63400 | pH 9; Tanperati: 25 °C | (1) ACD |
Faktè byokonsantrasyon | 21800 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Pwopriyete | Valè | Kondisyon | Sous |
Koc | 487 | pH 1; Tanperati: 25 °C | (1) ACD |
Koc | 3940 | pH 2; Tanperati: 25 °C | (1) ACD |
Koc | 29600 | pH 3; Tanperati: 25 °C | (1) ACD |
Koc | 88400 | pH 4; Tanperati: 25 °C | (1) ACD |
Pwopriyete | Valè | Kondisyon | Sous |
Koc | 1.10 x 105 | pH 5; Tanperati: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Tanperati: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Tanperati: 25 °C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Tanperati: 25 °C | (1) ACD |
Koc | 88800 | pH 9; Tanperati: 25 °C | (1) ACD |
Koc | 30600 | pH 10; Tanperati: 25 °C | (1) ACD |
logD | 4.39 | pH 1; Tanperati: 25 °C | (1) ACD |
logD | 5.30 | pH 2; Tanperati: 25 °C | (1) ACD |
logD | 6.18 | pH 3; Tanperati: 25 °C | (1) ACD |
logD | 6.65 | pH 4; Tanperati: 25 °C | (1) ACD |
logD | 6.75 | pH 5; Tanperati: 25 °C | (1) ACD |
logD | 6.76 | pH 6; Tanperati: 25 °C | (1) ACD |
logD | 6.76 | pH 7; Tanperati: 25 °C | (1) ACD |
logD | 6.75 | pH 8; Tanperati: 25 °C | (1) ACD |
logD | 6.65 | pH 9; Tanperati: 25 °C | (1) ACD |
logD | 6.19 | pH 10; Tanperati: 25 °C | (1) ACD |
logP | 6.761±0.669 | Tanperati: 25 °C | (1) ACD |
Soliblite intrinsèque nan mas | 2.0 x 10-4 g/L | Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 0.046 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 5.7 x 10-3 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 7.6 x 10-4 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.5 x 10-4 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.0 x 10-4 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.0 x 10-4 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.0 x 10-4 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.0 x 10-4 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.5 x 10-4 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 7.4 x 10-4 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
Soliblite Mas | 2.0 x 10-4 g/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
Soliblite intrinsèque molè | 2.4 x 10-7 mol/L | Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 5.6 x 10-5 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 7.0 x 10-6 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
Pwopriyete | Valè | Kondisyon | Sous |
Soliblite Molè | 9.3 x 10-7 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 3.1 x 10-7 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 2.5 x 10-7 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 2.4 x 10-7 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 2.4 x 10-7 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 2.5 x 10-7 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 3.1 x 10-7 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 9.0 x 10-7 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
Soliblite Molè | 2.4 x 10-7 mol/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
Pwa molekilè | 818.89 | ||
pKa | 9.55±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 | 21 | (1) ACD | |
Akseptè H | 14 | (1) ACD | |
Donatè H | 1 | (1) ACD | |
Sòm Donè/Akseptè H | 15 | (1) ACD | |
logP | 6.761±0.669 | Tanperati: 25 °C | (1) ACD |
Pwa molekilè | 818.89 |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Pwopriyete | Valè | Sous Kondisyon |
Sifas polè | 164 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Espèk disponib
1H RMN
13C RMN
Sous Deklarasyon Danje Kòd | |
H302 Danjere si vale | Klasifikasyon ak Etikèt Ajans Chimik Ewopeyen an (ECHA) Envantè - Klasifikasyon ak etikètaj notifye - notifikasyon ki pi komen yo, Ajans Chimik Ewopeyen an (ECHA) Envantè Klasifikasyon ak Etikètaj - Klasifikasyon ak etikètaj notifye - notifikasyon ki pi serye yo |