C36H39n5o8 Guanoosin, 5'-o- [4-Methodylyl) Phenylylylyl] -2'-O-methyl-
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 669.72 | - |
Dicht (virausgesot) | 1.35 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr |
pka (virausgesot) | 9.16 ± 0,20 | Meescht sauer Tempo: 25 ° C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OC
Isomeresch Laachen
C (oc) c = c4) (c5 = cc = c (oc) c = c5) C2C3 = C / N = CNA (C2 = CC = C (OC) C = C4 (C5 = CAH = C (OC) C = C5) C6c3 = CC3) N = CNA (CNA = CC = C (OC) C = C4 (C5 = CC = C (OC) C = C5) C6C3 = C / N = CC = CC = C (OC) C = C4 (C5 = CAH = C (OC) C = C5) C6C3 = CS = CNA)
= CC = C6
Inchi
Inchii ox5 twantekt9994 (49-300 € 49-315 (Dr 39.0) 39-315) 39-350 (4) 2,23-11-25,5-3) 16-12-23,38.40.43.43) 18-14--, 30---, 30-,2,2,2,2,2,20-21,2,23,43,43 Auer, 19h2
- / m1 / s1
Inchi Schlëssel
ISQLJOGRUQHJX-WIFIAMTSA-N
1 aneren Numm fir dës Substanz
5'-O- [4-Methodyphonyl) Phenylthyl] -2'-O-Methyl-n- (2-Methyl-1-oxopropyl) GuanoPropyl) GuanoPropyl) Guano
Eegeschafte verfügbar |
Biologesch |
Chemeschen |
Dicht |
Lipinski |
Struktur verbonnen |
Biologesch
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 797 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 330:30 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2400 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2450 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2450 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2450 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2420 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 2170 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1070 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 195 | 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 | 3020 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 7680 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 9100 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 9270 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 92990 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 9280 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 9170 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 820,20 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 4050 | pH 9; Temp: 25 ° C | (1) ACD |
Kokéieren | 737 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4,27 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.68 | pH 2; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Aloggenlogt | 4.75 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.76 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.76 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.76 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.76 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 4.71 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 440 méi | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 3.66 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 4.763 ± 0,722 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 3.1 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.4 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.7 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.5 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 7.4 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.9 x 10-3 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.1 x 10-4 g / l | UNBUFFERED WATER PH 699; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 4.6 X 10-7 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.4 x 10-6 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 5.5 x 10-7 MOL / L | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 4.7 x 10-7 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 4.6 X 10-7 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 4.6 X 10-7 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 4.6 X 10-7 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 4.6 X 10-7 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 5.2 X 10-7 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.1 x 10-6 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 5.8 x 10-6 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Molar sublabilitéit | 4.6 X 10-7 MOL / L | UNBUFFERED WATER PH 699; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 669.72 | ||
paka | 9.16 ± 0,20 | Meescht sauer Tempo: 25 ° C | (1) ACD |
paka | 1.73 ± 0,10 | 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 | 1.35 ± 0,1 g / cm3 | Trëpp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar Volumen | 494.4 ± 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 | 12 | (1) ACD | |
H Akzeptoren | 13 | (1) ACD | |
H Donateuren | 3 | (1) ACD | |
H Spender / Acceptor Zomm | 16 | (1) ACD | |
AloggenO Aloggen | 4.763 ± 0,722 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 669.72 |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Polarfläch | 155 A2 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1h nmr
13c nmr