C38h37n3o8 net zougewisen
| Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
| Molekular Gewiicht | 663.72 | - |
| Dicht (virausgesot) | 1.304 ± 0.06 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr |
| pka (virausgesot) | 8.27 ± 0,100 | Meescht sauer Tempo: 25 ° C |
Canonical Laachen O = C1NC (C (C = C1C (= CCC = 2C = CC = CC2) C3C (CCA (CC = CC4 = CC = CC) C = C5) C6 = C1N. (C1C (O) NCC = 2C = CC = CC2) C3C (CCA (CC = CC4 = CC = CC = C5) C6 = CCNC (OC = O) NCC = 2C = CC = CC2) C3C (CCA (CC; CC = CC = CC4 = CC = C5) C6 = C1NC (OC) C = C6) C (O) C3C (CCA (CC; CC = CC4 = CC = CC) C = C5) C6 = C1NC (OC) C = C6) c (O) C3C (CCA (CC = CC = CC4 = CC = OGNIn
Isomeresch Laachen
C (c4 = C. 1
Inchi
Inchi = 1s / C38h37On3o8 / C1333-32 (42-27 (14-18-29) 39-33) 4 1-23-31 (36 (44) 40-37 (35) 39,40. 39-22-25--254.44-63-63-63-
, 33 +, 34 + / M0 / S1
Inchi Schlëssel
Nzbgrvlzispurb-lbfzjhgsa-n
| Eegeschafte verfügbar |
| Biologesch |
| Eegeschafte verfügbar |
| Chemeschen |
| Dicht |
| Lipinski |
| Struktur verbonnen |
Biologesch
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| BIKOCONSENTRATIOUN FIELD | 5250 | pH 1; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 5250 | pH 2; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 5260 | pH 3; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 5260 | pH 4; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 5250 | pH 5; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 5200 | pH 6; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 47020 | pH 7; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 2460 | pH 8; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 465 | pH 9; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 96.9 | ph 10; Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Chemeschen
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Kokéieren | 16000 | pH 1; Temp: 25 ° C | (1) ACD |
| Kokéieren | 16000 | pH 2; Temp: 25 ° C | (1) ACD |
| Kokéieren | 16000 | pH 3; Temp: 25 ° C | (1) ACD |
| Kokéieren | 16000 | pH 4; Temp: 25 ° C | (1) ACD |
| Kokéieren | 16000 | pH 5; Temp: 25 ° C | (1) ACD |
| Kokéieren | 15800 | pH 6; Temp: 25 ° C | (1) ACD |
| Kokéieren | 14400 | pH 7; Temp: 25 ° C | (1) ACD |
| Kokéieren | 7510 | pH 8; Temp: 25 ° C | (1) ACD |
| Kokéieren | 1420 | pH 9; Temp: 25 ° C | (1) ACD |
| Kokéieren | 29 iwwer d'2966 | ph 10; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 5.20 | pH 1; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 5.20 | pH 2; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 5.20 | pH 3; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Aloggenlogt | 5.20 | pH 4; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 5.20 | pH 5; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 5.19 | pH 6; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 5.15 | pH 7; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 4.87 | pH 8; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 4.15 | pH 9; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 3.46 | ph 10; Temp: 25 ° C | (1) ACD |
| AloggenO Aloggen | 5.198 ± 0,644 | Temp: 25 ° C | (1) ACD |
| Mass intrinsesch Solubilitéit | 9.3 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 9.3 x 10-6 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 9.3 x 10-6 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 9.3 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 9.3 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 9.3 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 9.3 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1.1 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 2.0 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1.1 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 5.1 x 10-4 g / l | ph 10; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 1.1 x 10-5 g / l | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
| Molar intrinsesch Solubilitéit | 1.4 x 10-8 MOL / L | Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.4 x 10-8 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.4 x 10-8 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.4 x 10-8 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.4 x 10-8 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.4 x 10-8 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.4 x 10-8 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1,6 x 10-8 Mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 3.0 x 10-8 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.6 X 10-7 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 7.7 x 10-7 Mol / l | ph 10; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1,6 x 10-8 Mol / l | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Molekular Gewiicht | 663.72 | ||
| paka | 8.27 ± 0,100 | Meescht sauer Tempo: 25 ° C | (1) ACD |
| paka | -1.66 ± 0,20 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Dicht
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Dicht | 1.304 ± 0.06 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volumen | 508.6 ± 3,0 cm3 / mol | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Lipinski
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Fräi rotativ Obligatiounen | 13 | (1) ACD | |
| H Akzeptoren | 11 | (1) ACD | |
| H Donateuren | 3 | (1) ACD | |
| H Spender / Acceptor Zomm | 14 | (1) ACD | |
| AloggenO Aloggen | 5.198 ± 0,644 | Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 663.72 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Polarfläch | 136 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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