![C50H60N5O10P Sitidin, N-benzoýl-5 ′ -O- [bis (4-metoksifenil) fenilmetil] -2 ′ -O- (2-metoksietil) - 5-metil-, 3 ′ - [2-sianetil N, N-bis (1-metiletil) fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Sitidin, N-benzoýl-5 ′ -O- [bis (4-metoksifenil) fenilmetil] -2 ′ -O- (2-metoksietil) - 5-metil-, 3 ′ - [2-sianetil N, N-bis (1-metiletil) fosforamidit] (ACI) Aýratyn surat](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Sitidin, N-benzoýl-5 ′ -O- [bis (4-metoksifenil) fenilmetil] -2 ′ -O- (2-metoksietil) - 5-metil-, 3 ′ - [2-sianetil N, N-bis (1-metiletil) fosforamidit] (ACI)
CAS Hasaba alyş belgisi
163759-94-2
| Esasy fiziki aýratynlyklar | Gymmatlyk | .Agdaý |
| Molekulýar agram | 922.01 | - |
| pKa (çak edilýär) | 8.59 ± 0.40 | Kislotaly templeriň köpüsi: 25 ° C. |
Kanoniki SMILES
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
Izomeriki SMILES
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (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
InChI = 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
InChI açary
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Bu maddanyň beýleki atlary
Sitidin,N-benzoyl-5 ′ -O- [bis (4-metoksifenil) fenilmetil] -2 ′ -O- (2-metoksietil) - 5-metil-, 3 ′ - [2-sianetil bis (1-metiletil) fosforamidit] (9CI);12: PN: WO03084478 SAHYPA: 57 talap edilýän DNK;14: PN: US20030170636 SAHYPA: 17 talap edilýän DNK;15: PN: U.
S20030211606 SAHYPA: 19 talap edilýän DNK;15: PN: US20030212017 SAHYPA: 19 talap edilýän DNK;16: PN: US20040005569 SAHYPA: 22 talap edilýän DNK;17: PN: US20040006030 SAHYPA: 23 talap edilýän DNK;17: PN: US20040014049 SAHYPA: 20 talap edilýän DNK;18: PN: US20040014047 PAG E: 20 talap edilýän DNK;18: PN: US20040014048 SAHYPA: 20 talap edilýän DNK;18: PN: US20040014050 SAHYPA: 20 talap edilýän DNK;19: PN: U.
S20030171313 SAHYPA: 9 talap edilýän DNK;19: PN: US20030198965 SAHYPA: 20 talap edilýän DNK;19: PN: US20040005565 SAHYPA: 17-22 talap edilýän DNK;19: PN: US20040005570 SAHYPA: 20 talap edilýän DNK;19: PN: US20040014051 SAHYPA: 22 talap edilýän DNK;20: PN: US20040014699 SAHYPA
E: 20 talap edilýän DNK;21: PN: US20040006029 SAHYPA: 23 talap edilýän DNK;21: PN: WO03106645 SAHYPA: 72 talap edilýän DNK;61: PN: US20030
166592 SAHYPA: 15 talap edilýän DNK;7: PN: WO2005006958 SAHYPA: 62 talap edilýän DNK;84: PN: US20040171566 SAHYPA: 18 talap edilýän DNK;92:
PN: US20040005707 SAHYPA: 20 talap edilýän DNK;9: PN: WO2005007825 SAHYPA: 62 talap edilýän DNK;N4-Benzoýl-2 ′ -O-metoksietil-5-O- dimetoksitritil-5-metilsitidin-3 ′ -fosforamidit;N4-Benzoýl-2 ′ -O-metoksietil-5 ′ -O-dimetoksitritil-5-metilsitidin-3 ′ - amidit
Spektralar bar
13 C NMR
Hetero NMR
Sypatlar bar
Biologiki
Himiki
Lipinski
Gurluşy bilen baglanyşykly
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Biokonsentrasiýa faktory | 171 | pH 1;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 1250 | pH 2;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 47600 | pH 3;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 6.44 x 105 | pH 4;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 1.00 x 106 | pH 5;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 1.00 x 106 | pH 6;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 1.00 x 106 | pH 7;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 7.79 x 105 | pH 8;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 1.63 x 105 | pH 9;Temp: 25 ° C. | (1) ACD |
| Biokonsentrasiýa faktory | 30800 | pH 10;Temp: 25 ° C. | (1) ACD |
(1) Öňdebaryjy himiýa ösüşi (ACD / Labs) programma üpjünçiligi V11.02 (© 1994-2023 ACD / Labs) ulanyp hasaplanýar.
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Koc | 106 | pH 1;Temp: 25 ° C. | (1) ACD |
| Koc | 773 | pH 2;Temp: 25 ° C. | (1) ACD |
| Koc | 29500 | pH 3;Temp: 25 ° C. | (1) ACD |
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Koc | 3.99 x 105 | pH 4;Temp: 25 ° C. | (1) ACD |
| Koc | 8.02 x 105 | pH 5;Temp: 25 ° C. | (1) ACD |
| Koc | 8.70 x 105 | pH 6;Temp: 25 ° C. | (1) ACD |
| Koc | 8.16 x 105 | pH 7;Temp: 25 ° C. | (1) ACD |
| Koc | 4.83 x 105 | pH 8;Temp: 25 ° C. | (1) ACD |
| Koc | 1.01 x 105 | pH 9;Temp: 25 ° C. | (1) ACD |
| Koc | 19100 | pH 10;Temp: 25 ° C. | (1) ACD |
| logD | 4.48 | pH 1;Temp: 25 ° C. | (1) ACD |
| logD | 5.34 | pH 2;Temp: 25 ° C. | (1) ACD |
| logD | 6.92 | pH 3;Temp: 25 ° C. | (1) ACD |
| logD | 8.06 | pH 4;Temp: 25 ° C. | (1) ACD |
| logD | 8.36 | pH 5;Temp: 25 ° C. | (1) ACD |
| logD | 8.39 | pH 6;Temp: 25 ° C. | (1) ACD |
| logD | 8.37 | pH 7;Temp: 25 ° C. | (1) ACD |
| logD | 8.14 | pH 8;Temp: 25 ° C. | (1) ACD |
| logD | 7.46 | pH 9;Temp: 25 ° C. | (1) ACD |
| logD | 6.73 | pH 10;Temp: 25 ° C. | (1) ACD |
| logP | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Köpçüligiň içerki çözgüdi | 1,4 x 10-4 g / L. | Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,1 g / L. | pH 1;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 0,16 g / L. | pH 2;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 4.1 x 10-3 g / L. | pH 3;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 3.0 x 10-4 g / L. | pH 4;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,5 x 10-4 g / L. | pH 5;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,4 x 10-4 g / L. | pH 6;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,5 x 10-4 g / L. | pH 7;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 2,5 x 10-4 g / L. | pH 8;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,2 x 10-3 g / L. | pH 9;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 6.3 x 10-3 g / L. | pH 10;Temp: 25 ° C. | (1) ACD |
| Köpçülikleýin çözgüt | 1,5 x 10-4 g / L. | Päsgelçiliksiz suw pH 6.97;Temp: 25 ° C. | (1) ACD |
| Molaryň içerki çözgüdi | 1.5 x 10-7 mol / L. | Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 1,2 x 10-3 mol / L. | pH 1;Temp: 25 ° C. | (1) ACD |
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Molaryň çözgüdi | 1,7 x 10-4 mol / L. | pH 2;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 4.4 x 10-6 mol / L. | pH 3;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 3.2 x 10-7 mol / L. | pH 4;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 1,6 x 10-7 mol / L. | pH 5;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 1.5 x 10-7 mol / L. | pH 6;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 1,6 x 10-7 mol / L. | pH 7;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 2.7 x 10-7 mol / L. | pH 8;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 1,3 x 10-6 mol / L. | pH 9;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 6,8 x 10-6 mol / L. | pH 10;Temp: 25 ° C. | (1) ACD |
| Molaryň çözgüdi | 1,6 x 10-7 mol / L. | Päsgelçiliksiz suw pH 6.97;Temp: 25 ° C. | (1) ACD |
| Molekulýar agram | 922.01 | ||
| pKa | 8.59 ± 0.40 | Kislotaly templeriň köpüsi: 25 ° C. | (1) ACD |
| pKa | 3.87 ± 0.20 | Iň esasy synag: 25 ° C. | (1) ACD |
(1) Öňdebaryjy himiýa ösüşi (ACD / Labs) programma üpjünçiligi V11.02 (© 1994-2023 ACD / Labs) ulanyp hasaplanýar.
| Emläk | Gymmatlyk | .Agdaý | Çeşme |
| Erkin aýlanýan obligasiýalar | 22 | (1) ACD | |
| H kabul edijiler | 15 | (1) ACD | |
| H Donorlar | 1 | (1) ACD | |
| H Donor / kabul ediji jem | 16 | (1) ACD | |
| logP | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Molekulýar agram | 922.01 |
(1) Öňdebaryjy himiýa ösüşi (ACD / Labs) programma üpjünçiligi V11.02 (© 1994-2023 ACD / Labs) ulanyp hasaplanýar.
| Emläk | Gymmatlyk | Sourceagdaý çeşmesi |
| Polýar üstü meýdany | 176 A2 | (1) ACD |
(1) Öňdebaryjy himiýa ösüşi (ACD / Labs) programma üpjünçiligi V11.02 (© 1994-2023 ACD / Labs) ulanyp hasaplanýar.
Spektralar bar
1 H NMR
13 C NMR
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![C47H51FN7O7P Adenozin, N-benzoýl-5 ′ -O- [bis (4-metoksifenil) fenilmetil] -2 ′ - deoksi-2 ′ -fluoro-, 3 ′ - fosfor amidit] (ACI)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine-300x300.png)
![C45H56N7O9P Guanozin, 5 ′ -O- (1-metiletil) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C9H10N2O5 6H-Furo [2 ′, 3 ′: 4,5] oksazolo [3,2-a] pirimidin-6-bir, 2,3,3a, 9a-tetrah ýdro-3-gidroksi-2- (gidroksimetil) - , (2R, 3 R, 3aS, 9aR) - (9CI, ACI)](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo-300x300.png)