![C42h52n5o9P Cytidine, N-Acetyl-5 '-O- [4-Methodylyl) Phenylthyl] -2' Methylylyl.](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42h52n5o9P Cytidine, N-Acetyl-5 '--o- [4-Methodyphyl) Phenylmtyl] -2' Methylylyl.](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42h52n5o9P Cytidine, N-Acetyl-5 '-O- [4-Methodylyl) Phenylthyl] -2' Methylylyl.
Fas Registry Nummer
199593-09-4
| Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
| Molekular Gewiicht | 801,87 | - |
| pka (virausgesot) | 10.18 ± 0,20 | Meescht sauer Tempo: 25 ° C |
Canonesch Laachen
N#CCCOP(OC1C(OC(N2C=CC(= NC2=O)NC(=O)C)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)N(C(C)C)C(C)C
Isomeresch Laachen
C (nc (c) = o) c = c2) (c3 = cc = c) c (c) c = c3) (C4 = O1c) (O1c # oc = C (oc) c = c4) c5 = cc = cc = c5
Inchi
InChI= 1S/C42H52N5O9P/c1-28(2)47(29(3)4)57(54-26-12-24-43)56-38-36(55-40(39(38)52-8)46-25-23-37(44-30(5)48)45-41(46)49)27-53 -42-29,36-11,38-19-39-34 (50-6) 33-17---21h3, 2,7-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18-18,7 H, 44,35,48.48.49) / T36-, 38-, 39-, 40-, 57-? / M1 / S1 / M1 / S1
Inchi Schlëssel
WNWumipflokteez-uaqipllsa-n
1 aneren Numm fir dës Substanz
Zythidine,N-Cactetyl-5 '-O- [BIS (4-Joretixophyl) Phenylmthyl] -2 '-O-methyl-, 3 '- [2-cyanethyl Bis (1-Methylylylyl) Phosphoamidite] (9ci)
Eegeschafte verfügbar
Biologesch
Chemeschen
Lipinski
Struktur verbonnen
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| BIKOCONSENTRATIOUN FIELD | 4.77 | pH 1; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 50.1 | pH 2; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 2190 | pH 3; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 21700 | pH 4; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 35700 | pH 5; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 37800 | pH 6; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 37900 | pH 7; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 37300 | pH 8; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 31400 | pH 9; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 12300 | ph 10; Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
| Eegeschafte Wäert Zoustand |
| Koc 8,29 ph 1; Temp: 25 ° C (1) ACD |
| Koc 87.1 PH 2; Temp: 25 ° C (1) ACD |
| Koc 3800 pH 3; Temp: 25 ° C (1) ACD |
| Koc 37700 PH 4; Temp: 25 ° C (1) ACD |
| Koc 62000 ph 5; Temp: 25 ° C (1) ACD |
| Koc 65700 PH 6; Temp: 25 ° C (1) ACD |
| Koc 65900 PH 7; Temp: 25 ° C (1) ACD |
| Koc 64700 PH 8; Temp: 25 ° C (1) ACD |
| Koc 54500 PH 9; Temp: 25 ° C (1) ACD |
| Koc 21400 PH 10; Temp: 25 ° C (1) ACD |
| logd 2.43 Ph 1; Temp: 25 ° C (1) ACD |
| Logd 3.45 PH 2; Temp: 25 ° C (1) ACD |
| logd 5.09 ph 3; Temp: 25 ° C (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Aloggenlogt | 6.09 | pH 4; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 6.30 Auer | pH 5; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 6.33 | pH 6; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 6.33 | pH 7; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 6.32 | pH 8; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 6,25 | pH 9; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 5.84 | ph 10; Temp: 25 ° C | (1) ACD |
| AloggenO Aloggen | 6.329 ± 0.771 | Temp: 25 ° C | (1) ACD |
| Mass intrinsesch Solubilitéit | 1,8 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1.4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,14 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 3.1 x 10-3 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 3.2 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1.9 X 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1,8 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1,8 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1,8 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 2.2 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 5.6 x 10-4 g / l | ph 10; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1,8 x 10-4 g / l | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
| Molar intrinsesch Solubilitéit | 2.3 x 10-7 MOL / L | Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1,8 x 10-3 Mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.7 x 10-4 Mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 3.9 x 10-6 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 4.0 x 10-7 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 2.4 x 10-7 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 2.3 x 10-7 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 2.3 x 10-7 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 2.3 x 10-7 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 2.8 x 10-7 Mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 7.0 x 10-7 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 2.3 x 10-7 MOL / L | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Molekular Gewiicht | 801,87 | ||
| paka | 10.18 ± 0,20 | Meescht sauer Tempo: 25 ° C | (1) ACD |
| paka | 3.57 ± 0,20 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Fräi rotativ Obligatiounen | 18 | (1) ACD | |
| H Akzeptoren | 14 | (1) ACD | |
| H Donateuren | 1 | (1) ACD | |
| H Spender / Acceptor Zomm | 15 | (1) ACD | |
| AloggenO Aloggen | 6.329 ± 0.771 | Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 801,87 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
| Prowalange | Wäert | Konditiounsquell |
| Polarfläch | 167 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr
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