![C41H43N3O9 Sitidin, N-benzoil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O- (2-metoksietil)-5-metil- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Sitidin, N-benzoil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O- (2-metoksietil)-5-metil- (9CI, ACI) H335, H319, H315 Imaj Anons Spesyal](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Sitidin, N-benzoil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O- (2-metoksietil)-5-metil- (9CI, ACI) H335, H319, H315
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 721.80 | - |
| Pwen Fizyon (Eksperimantal) | 107-110 °C | - |
| Dansite (Prevwa) | 1.26±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr |
| pKa (Predi) | 8.60±0.40 | Tanperati ki pi asid: 25 °C |
SOURI Kanonik O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC)C
SOURI izomerik
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)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
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11 -7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Kle InChI
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Lòt Non pou Sibstans sa a
N-Benzoyl-5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-(2-metoksietil)-5-metilsitid (ACI); 10: PN: WO03084478 PAJ: 57 ARN reklame; 12: PN: US20030170636 PAJ: 17 R NA reklame; 13: PN: US20030212017 PAJ: 19 R NA reklame; 14: PN: US20030
211606 PAJ: 19 reklame R NA; 15: PN: US20040005569 PAJ: 22 reklame R NA; 16: PN: US20040006030 PAJ: 22 reklame R NA; 16: PN: US20040014048 PAJ: 20 reklame R NA; 17: PN: US20030171313 PAJ: 9 reklame R NA; 17: PN: US20040005565 PAJ: 17- 22 RNA reklame; 17: PN: US20040005570 PAJ: 20 reklame R NA; 17: PN: US20040014047 PAJ: 20 reklame R NA; 17: PN: US20040 014050 PAJ: 20 reklame R NA; 18: PN: US20030198965 PAJ: 19 reklame R NA; 18: PN: US20040014699 PAJ: 20 reklame R NA; 19: PN: US20040006029 PAJ: 23 reklame R NA; 19: PN: WO03106645 PAJ: 71 reklame R NA; 59: PN: US20030166592 PAJ: 15 reklame RNA; 6: PN: WO2005006958 PAJ: 62 reklame R NA; 83: PN: US20040171566 PAJ: 18 reklame R NA; 8: PN: WO2005007825
PAJ: 62 reklame R NA; 90: PN: US20040005707 PAJ: 20 reklame R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
metilsitidin
| Pwopriyete ki disponib |
| Tèmik |
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen fizyon | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nukleozid, Nukleotid ak Asid Nikleyik, (2018), 37(4), 232-247, CAplus
Espèk disponib
1H RMN
13C RMN
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 291 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 644 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 3690 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 15600 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 23700 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 24800 | pH 6; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 23300 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 14100 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 3010 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 558 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 569 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 1260 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 7210 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 30400 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 46300 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 48500 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 45500 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 27500 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 5890 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 1090 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | 4.16 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 4.50 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 5.26 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 5.88 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 6.07 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 6.09 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 6.06 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 5.84 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 5.17 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 4.44 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 6.093±0.720 | Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque nan mas | 1.3 x 10-4 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.011 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.0 x 10-3 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 8.7 x 10-4 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 2.1 x 10-4 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Mas | 1.4 x 10-4 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.3 x 10-4 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.4 x 10-4 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 2.3 x 10-4 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.1 x 10-3 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.8 x 10-3 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.4 x 10-4 g/L | Dlo san tampon pH 6.97; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 1.8 x 10-7 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.5 x 10-5 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.9 x 10-6 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.2 x 10-6 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.9 x 10-7 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.9 x 10-7 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.8 x 10-7 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.9 x 10-7 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 3.2 x 10-7 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.5 x 10-6 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 8.0 x 10-6 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.9 x 10-7 mol/L | Dlo san tampon pH 6.97; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 721.80 | ||
| pKa | 8.60±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)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.26±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
| Volim Molè | 572.5±7.0 cm3/mol | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 15 | (1) ACD | |
| Pwopriyete | Valè | Kondisyon | Sous |
| Akseptè H | 12 | (1) ACD | |
| Donatè H | 2 | (1) ACD | |
| Sòm Donè/Akseptè H | 14 | (1) ACD | |
| logP | 6.093±0.720 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 721.80 |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Sifas polè | 137 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Espèk disponib
1H RMN
13C RMN
| Kòd | Deklarasyon Danje | Sous |
| H335 | Ka lakòz iritasyon respiratwa | Envantè Klasifikasyon ak Etikèt Ajans Chimik Ewopeyen an (ECHA) - Klasifikasyon ak etikètaj notifye - notifikasyon ki pi komen yo, Envantè Klasifikasyon ak Etikèt Ajans Chimik Ewopeyen an (ECHA) - Klasifikasyon ak etikètaj notifye - notifikasyon ki pi serye yo |
| H319 | Lakòz iritasyon grav nan je yo | Envantè Klasifikasyon ak Etikèt Ajans Chimik Ewopeyen an (ECHA) - Klasifikasyon ak etikètaj notifye - notifikasyon ki pi komen yo, Envantè Klasifikasyon ak Etikèt Ajans Chimik Ewopeyen an (ECHA) - Klasifikasyon ak etikètaj notifye - notifikasyon ki pi serye yo |
| H315 | Lakòz iritasyon po | Envantè Klasifikasyon ak Etikèt Ajans Chimik Ewopeyen an (ECHA) - Klasifikasyon ak etikètaj notifye - notifikasyon ki pi komen yo, Envantè Klasifikasyon ak Etikèt Ajans Chimik Ewopeyen an (ECHA) - Klasifikasyon ak etikètaj notifye - notifikasyon ki pi serye yo |
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