C39h37n5o7 ANOOONIN, N-BENZOYL-5'-O- OR (4-Methodyphyl) Phenylmethyl] -2'-

C39h37n5o7 ANONOSIN, N-Benzoyl-5'-O- [4-Methodyphyl) Phenylmthyl] -2 'O -2'-

Basis Informatioun:

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Kierperlech Eegeschafte

Schlëssel kierperlech Eegeschafte	Wäert	Bedingchmëttel
Molekular Gewiicht	687.74	-
Dicht (virausgesot)	1.32 ± 0,1 G / CM3	Trëpp: 20 ° C; Press: 760 Torr
pka (virausgesot)	7.87 ± 0,43	Meescht sauer Tempo: 25 ° C

Aner Nimm an Identifizéierer

Canonical Laachen O = C (NC1 = NC2 = C1N = CN2C3C (CC = 4C = CC = CC4) C3 = CC1 = CC = CC = CC = CC1 = CC = CC = CC = CC = CC = CC = CC = CC = CCONE Laachen O = CC1 = C1N = CN2C3C (CC = 4C = CC = CC4) C = CC1 = CC = CC = CC1 = CC = CC = CC = CC = CC = CC = CCONEAKT LËTT Smile O = CC1 = C1N = CN2C3C (CC = 4C = CC = CC4) C = 50 = OCC = CC1 = CC = CC1 = CC = CC = CC = CC1
Isomeresch Laachen
C (oc [cn3) (c5 = cc = c (oc) c = c5) (c6 = cc = c (oc) cc = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = C4) N = CN3) 1
Inchi
Inchi = 1s / c39h37o7 / C17-29-18-14.4-27 (15-19-3) 39 (66-12- 5-15-269-15-269-16-20) 21-17-28) 50-22-313 (45-18-14 (15-19-3) 38 (56-12- 5-9-15-269-16-20-30 (48-268-16-20-30 (48-27-28) 50-22-31-33 (45-14.4 (15-19-39) 39 (66-12- 5-15-269-16-268-16-20-30) 21-17-28) 50-22-31-33 (45-14-27 (15-19-3) 39 (66-12-8-5-9-15-269-16-20-30 (48-268-16-20-30 (46-27-28- 34) 44-24-42-35,1-333, (H, 40.410.43,43 (4-10-6-4-7-113- ,3,7,73---213- ,33---
34-, 38- / M1 / S1
Inchi Schlëssel
Sarhdaqoznkzcc-cjegosrcscscs-n
1 aneren Numm fir dës Substanz
N-bozoyl-5'-o- [4 (4-methoryphyl) Phenylthyl] -2' -2'-O-Methyladein (ACI)

Experimentell Spektre

Spektre verfügbar
1h nmr
13c nmr
Mass vun Mass

Virausgesot Eegeschafte

Eegeschafte verfügbar
Biologesch
Chemeschen
Dicht
Lipinski
Struktur verbonnen

Biologesch

Prowalange	Wäert	Bedingchmëttel	Quellatioun
BIKOCONSENTRATIOUN FIELD	47800	pH 1; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.63 x 105	pH 2; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	2.16 x 105	pH 3; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	2.23 x 105	pH 4; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	2.23 x 105	pH 5; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	2.18 x 105	pH 6; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.79 X 105	pH 7; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	64900	pH 8; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	10600	pH 9; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	31-410	ph 10; Temp: 25 ° C	(1) ACD

Chemeschen

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Kokéieren	50200	pH 1; Temp: 25 ° C	(1) ACD
Kokéieren	1.71 x 105	pH 2; Temp: 25 ° C	(1) ACD
Kokéieren	2.26 x 105	pH 3; Temp: 25 ° C	(1) ACD
Kokéieren	2.34 x 105	pH 4; Temp: 25 ° C	(1) ACD
Kokéieren	2.34 x 105	pH 5; Temp: 25 ° C	(1) ACD
Kokéieren	2.29 X 105	pH 6; Temp: 25 ° C	(1) ACD
Kokéieren	1.88 x 105	pH 7; Temp: 25 ° C	(1) ACD

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Kokéieren	68000	pH 8; Temp: 25 ° C	(1) ACD
Kokéieren	11200	pH 9; Temp: 25 ° C	(1) ACD
Kokéieren	3760	ph 10; Temp: 25 ° C	(1) ACD
Aloggenlogt	6.67	pH 1; Temp: 25 ° C	(1) ACD
Aloggenlogt	7.211	pH 2; Temp: 25 ° C	(1) ACD
Aloggenlogt	7.33	pH 3; Temp: 25 ° C	(1) ACD
Aloggenlogt	7.34	pH 4; Temp: 25 ° C	(1) ACD
Aloggenlogt	7.34	pH 5; Temp: 25 ° C	(1) ACD
Aloggenlogt	7.33	pH 6; Temp: 25 ° C	(1) ACD
Aloggenlogt	7,25	pH 7; Temp: 25 ° C	(1) ACD
Aloggenlogt	6.80	pH 8; Temp: 25 ° C	(1) ACD
Aloggenlogt	6.02	pH 9; Temp: 25 ° C	(1) ACD
Aloggenlogt	5.49	ph 10; Temp: 25 ° C	(1) ACD
AloggenO Aloggen	7.344 ± 0.723	Temp: 25 ° C	(1) ACD
Mass intrinsesch Solubilitéit	2.7 x 10-6 g / l	Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.2 x 10-5 g / l	pH 1; Temp: 25 ° C	(1) ACD
Massebelibilitéit	3.7 x 10-6 g / l	pH 2; Temp: 25 ° C	(1) ACD
Massebelibilitéit	2.8 x 10-6 g / l	pH 3; Temp: 25 ° C	(1) ACD
Massebelibilitéit	2.8 x 10-6 g / l	pH 4; Temp: 25 ° C	(1) ACD
Massebelibilitéit	2.8 x 10-6 g / l	pH 5; Temp: 25 ° C	(1) ACD
Massebelibilitéit	2.8 x 10-6 g / l	pH 6; Temp: 25 ° C	(1) ACD
Massebelibilitéit	3.4 x 10-6 g / l	pH 7; Temp: 25 ° C	(1) ACD
Massebelibilitéit	9.6 x 10-6 g / l	pH 8; Temp: 25 ° C	(1) ACD
Massebelibilitéit	5.7 x 10-5 g / l	pH 9; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.9 X 10-4 g / l	ph 10; Temp: 25 ° C	(1) ACD
Massebelibilitéit	3.4 x 10-6 g / l	Ongebrach Waasser ph 7.00; Temp: 25 ° C	(1) ACD
Molar intrinsesch Solubilitéit	3.9 X 10-9 MOL / L	Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.8 x 10-8 MOL / L	pH 1; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	5.4 x 10-9 MOL / L	pH 2; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	4.1 x 10-9 MOL / L	pH 3; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	4.0 x 10-9 MOL / L	pH 4; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	4.0 x 10-9 MOL / L	pH 5; Temp: 25 ° C	(1) ACD

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Molar sublabilitéit	4.0 x 10-9 MOL / L	pH 6; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	4.9 X 10-9 MOL / L	pH 7; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.4 x 10-8 MOL / L	pH 8; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	8.3 x 10-8 MOL / L	pH 9; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	2.8 x 10-7 Mol / l	ph 10; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	4.9 X 10-9 MOL / L	Ongebrach Waasser ph 7.00; Temp: 25 ° C	(1) ACD
Molekular Gewiicht	687.74
paka	7.87 ± 0,43	Meescht sauer Tempo: 25 ° C	(1) ACD
paka	1.39 ± 0,10	Déi meescht Basis Tempo: 25 ° C	(1) ACD

Dicht

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Dicht	1.32 ± 0,1 G / CM3	Trëpp: 20 ° C; Press: 760 Torr	(1) ACD
Molar Volumen	518.5 ± 7.0 cm3 / Mol	Trëpp: 20 ° C; Press: 760 Torr	(1) ACD

Lipinski

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Fräi rotativ Obligatiounen	12		(1) ACD
H Akzeptoren	12		(1) ACD
H Donateuren	2		(1) ACD
H Spender / Acceptor Zomm	14		(1) ACD
AloggenO Aloggen	7.344 ± 0.723	Temp: 25 ° C	(1) ACD
Molekular Gewiicht	687.74