![C50H60N5O10P Sitidin, N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O- (2-metoksietil)- 5-metil-, 3′ – [2-syanoetil N,N-bis(1-metiletil) fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Sitidin, N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O- (2-metoksietil)- 5-metil-, 3′ – [2-syanoetil N,N-bis(1-metiletil) fosforamidit] (ACI) Imaj Anons Spesyal](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Sitidin, N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O- (2-metoksietil)- 5-metil-, 3′ – [2-syanoetil N,N-bis(1-metiletil) fosforamidit] (ACI)
Nimewo Rejis CAS la
163759-94-2
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 922.01 | - |
| pKa (Predi) | 8.59±0.40 | Tanperati ki pi asid: 25 °C |
SOURI Kanonik
N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C 6)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)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC =C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
NanChI= 1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-10-14-19-38,39-20-24-41(59-7)25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45(44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/h9-14,16-27,32,34-35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-,45-,48-,66?/m1/s1
Kle InChI
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Lòt Non pou Sibstans sa a
Sitidin,N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O-(2-metoksietil)- 5-metil-, 3′ - [2-syanoetil bis(1-metiletil) fosforamidit] (9CI); 12: PN: WO03084478 PAJ: 57 ADN reklame; 14: PN: US20030170636 PAJ: 17 ADN reklame; 15: PN: U
S20030211606 PAJ: 19 ADN reklame; 15: PN: US20030212017 PAJ: 19 ADN reklame; 16: PN: US20040005569 PAJ: 22 ADN reklame; 17: PN: US20040006030 PAJ: 23 ADN reklame; 17: PN: US20040014049 PAJ: 20 ADN reklame; 18: PN: US20040014047 PAJ E: 20 ADN reklame; 18: PN: US20040014048 PAJ: 20 ADN reklame; 18: PN: US20040014050 PAJ: 20 ADN reklame; 19: PN: U
S20030171313 PAJ: 9 ADN reklame; 19: PN: US20030198965 PAJ: 20 ADN reklame; 19: PN: US20040005565 PAJ: 17- 22 ADN reklame; 19: PN: US20040005570 PAJ: 20 ADN reklame; 19: PN: US20040014051 PAJ: 22 ADN reklame; 20: PN: US20040014699 PAJ
E: 20 ADN reklame; 21: PN: US20040006029 PAJ: 23 ADN reklame; 21: PN: WO03106645 PAJ: 72 ADN reklame; 61: PN: US20030
166592 PAJ: 15 ADN reklame; 7: PN: WO2005006958 PAJ: 62 ADN reklame; 84: PN: US20040171566 PAJ: 18 ADN reklame; 92:
PN: US20040005707 PAJ: 20 ADN reklame; 9: PN: WO2005007825 PAJ: 62 ADN reklame;N4-Benzoyl-2′ -O-metoksietil-5-O- dimetoksitritil-5-metilsitid-3′-fosforamidit;N4-Benzoyl-2′ -O-metoksietil-5′-O-dimetoksitritil-5-metilsitid-3′- amidit
Espèk disponib
13C RMN
Etero RMN
Pwopriyete ki disponib
Byolojik
Chimik
Lipinski
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 171 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1250 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 47600 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 6.44 x 105 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.00 x 106 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 7.79 x 105 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.63 x 105 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 30800 | 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 | 106 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 773 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 29500 | pH 3; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 3.99 x 105 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 8.02 x 105 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 8.70 x 105 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 8.16 x 105 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 4.83 x 105 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 1.01 x 105 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 19100 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | 4.48 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 5.34 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 6.92 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 8.06 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 8.36 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 8.39 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 8.37 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 8.14 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 7.46 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 6.73 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 8.401±0.723 | Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque nan mas | 1.4 x 10-4 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.1 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.16 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.1 x 10-3 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.0 x 10-4 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.5 x 10-4 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.4 x 10-4 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.5 x 10-4 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 2.5 x 10-4 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.2 x 10-3 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 6.3 x 10-3 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.5 x 10-4 g/L | Dlo san tampon pH 6.97; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 1.5 x 10-7 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.2 x 10-3 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Molè | 1.7 x 10-4 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 4.4 x 10-6 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 3.2 x 10-7 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.6 x 10-7 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.5 x 10-7 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.6 x 10-7 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.7 x 10-7 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.3 x 10-6 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.8 x 10-6 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.6 x 10-7 mol/L | Dlo san tampon pH 6.97; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 922.01 | ||
| pKa | 8.59±0.40 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | 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 | 22 | (1) ACD | |
| Akseptè H | 15 | (1) ACD | |
| Donatè H | 1 | (1) ACD | |
| Sòm Donè/Akseptè H | 16 | (1) ACD | |
| logP | 8.401±0.723 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 922.01 |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Sous Kondisyon |
| Sifas polè | 176 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Espèk disponib
1H RMN
13C RMN
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