C20h23n5o6 ANONOOS, N-Benzoyl-2'-O- (2-Methohyethyl) - (9ci, Aci)
| Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
| Molekular Gewiicht | 429.43 | - |
| Dicht (virausgesot) | 1.53 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr |
| pka (virausgesot) | 13.15 ± 0.70 | Meescht sauer Tempo: 25 ° C |
Canonesch Laachen O = C (NC1 = NC = NC2 = C1N = CN2C3C (CO) C (O) C3CCCOC) C = 4C = CC = CC = CC = CC = CC = CC = CC1
ISOMRIC LAILES O (CCOC) [C H] 1 [C @@ H] (o [c @ h] (CO) [CC = CNC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CCERY LAILICS OVERS O (CCOC) [CIH 1 [C @@ H] (O
Inchi
Inchi = 1s / c20h23n5o6 / C1-297-8-30-16--6) 13 (9-26) 31-20 (16) 25-11-17-17-18 (28) 12-5-3-2-4-7-8-30-16--6.1 0-11,13,15-16.20.26-27h, 7-9h20.1h3, (H, 21,28,28) / T1,28,28,28,12.1h1,1,1,1,13,16-27h, 7-9h2.1h3, (H, 21,28,28 ).28, 16-, 15-,2,12.1h1,1,1,1,13.16-27h, 7-9h2.1h3, (H, 21.22.248)
Inchi Schlëssel
Rufjmcsvnngffc-khtyjdqrsa-n
2 aner Nimm fir dës Substanz
N-benzoyl-2'-o- (2-methoryethyl) Aonosin (ACI); N6-benzoyl-2'-o- (2-methoryethyl) anoosin
Spektre verfügbar
1h nmr
13c nmr
| Eegeschafte verfügbar |
| Biologesch |
| Chemeschen |
| Dicht |
| Lipinski |
| Struktur verbonnen |
Biologesch
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| BIKOCONSENTRATIOUN FIELD | 3.71 | pH 1; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 14.6 | pH 2; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 20.9 | pH 3; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 21.8 | pH 4; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 21.9 | pH 5; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 21.8 | pH 6; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 21.4 | pH 7; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 17,6 | pH 8; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 6.52 | pH 9; Temp: 25 ° C | (1) ACD |
| BIKOCONSENTRATIOUN FIELD | 1.08 | 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 | 51. Jor12 | pH 1; Temp: 25 ° C | (1) ACD |
| Kokéieren | 210 | pH 2; Temp: 25 ° C | (1) ACD |
| Kokéieren | 2999 | pH 3; Temp: 25 ° C | (1) ACD |
| Kokéieren | 3122 | pH 4; Temp: 25 ° C | (1) ACD |
| Kokéieren | 314 | pH 5; Temp: 25 ° C | (1) ACD |
| Kokéieren | 3163 | pH 6; Temp: 25 ° C | (1) ACD |
| Kokéieren | 3066 | pH 7; Temp: 25 ° C | (1) ACD |
| Kokéieren | 253 | pH 8; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Kokéieren | 93.5 | pH 9; Temp: 25 ° C | (1) ACD |
| Kokéieren | 15,5 | ph 10; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 1.30 Auer | pH 1; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 1.90 | pH 2; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 2.05 | pH 3; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 2.07 | pH 4; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 2.07 | pH 5; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 2.07 | pH 6; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 2.06 | pH 7; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 1.98 | pH 8; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 1.54 | pH 9; Temp: 25 ° C | (1) ACD |
| Aloggenlogt | 0,76 | ph 10; Temp: 25 ° C | (1) ACD |
| AloggenO Aloggen | 2.085 ± 0,689 | Temp: 25 ° C | (1) ACD |
| Mass intrinsesch Solubilitéit | 0,030 g / l | Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,17 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,0429 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,030 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,029 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,029 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,029 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,029 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,036 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,094 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,60 g / l | ph 10; Temp: 25 ° C | (1) ACD |
| Massebelibilitéit | 0,029 g / l | UNBUFFERED WATER PH 638; Temp: 25 ° C | (1) ACD |
| Molar intrinsesch Solubilitéit | 7.0 x 10-5 MOL / L | Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 3.9 X 10-4 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.00 X 10-4 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 7.0 x 10-5 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 6.7 x 10-5 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 6.7 x 10-5 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 6.7 x 10-5 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Molar sublabilitéit | 6.8 X 10-5 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 8.3 x 10-5 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 2.2 x 10-4 Mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 1.4 x 10-3 Mol / l | ph 10; Temp: 25 ° C | (1) ACD |
| Molar sublabilitéit | 6.7 x 10-5 MOL / L | UNBUFFERED WATER PH 638; Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 429.43 | ||
| paka | 13.15 ± 0.70 | Meescht sauer Tempo: 25 ° C | (1) ACD |
| paka | 8.80 ± 0,100 | 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 | 1.53 ± 0,1 G / CM3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volumen | 28.33.1 ± 7.0 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 | 9 | (1) ACD | |
| H Akzeptoren | 11 | (1) ACD | |
| H Donateuren | 3 | (1) ACD | |
| H Spender / Acceptor Zomm | 14 | (1) ACD | |
| AloggenO Aloggen | 2.085 ± 0,689 | Temp: 25 ° C | (1) ACD |
| Molekular Gewiicht | 429.43 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
| Prowalange | Wäert | Bedingchmëttel | Quellatioun |
| Polarfläch | 141 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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