C44H49n5o7si ANONOSIIN, N-BENZOYL-5'-O- OR (4-Methodyphyl) Phenylthylylylylylylylylylyl

C44H49n5o7si ANOONE, N-BENZOYL-5'-OR (4-Methodyphylyl) Phenylthylylylylylylylylyltyl)

Basis Informatioun:

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Kierperlech Eegeschafte

Schlëssel kierperlech Eegeschafte	Wäert	Bedingchmëttel
Molekular Gewiicht	787.98	-
Dicht (virausgesot)	1.23 ± 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

Canonesch Laachen
O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3O[Si](C)(C)C(C)(C)C)C=7C=CC= CC7
Isomeresch Laachen
C (oc [c @ h] 1o [c @ h] ([c @ h] (o [si] (c (c) c) 1 C (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = c (oc) c = c5 = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC1
Inchi
InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(38)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-2 9) 26-54-44 (30-16,30.37-38.42,40.50h, 26h2h2,1-7) 25-2014 (3-2014, 25-21-3-
45.46,48.51) / T35-, 37-, 38----- / M1 / S1
Inchi Schlëssel
Dazigopassjpcj-gnecsjisa-n
2 aner Nimm fir dës Substanz
N-bozoyl-5'-o- [4 (4-methoryphyl) Phenylylyl] -2'-O - [(1.1-Dimethylylylyl) DIMIGYLYL) DICKZOYL-5-O- N6-benzoyl-5'-o- (4,4'- dimethoxrityl) -2'-O- (Tert-thyldimylylylsilyl) ANOOONSIVERS

Experimentell Spektre

Spektre verfügbar
1h nmr
Hetero nmr

Virausgesot Eegeschafte

Eegeschafte verfügbar

Biologesch

Chemeschen

Dicht

Lipinski

Struktur verbonnen

Biologesch

Prowalange	Wäert	Bedingchmëttel	Quellatioun
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 1; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 2; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 3; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 4; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 5; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 6; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 7; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 8; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	1.00 x 106	pH 9; Temp: 25 ° C	(1) ACD
BIKOCONSENTRATIOUN FIELD	5.41 x 105	ph 10; Temp: 25 ° C	(1) ACD

Chemeschen

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Kokéieren	2.01 x 106	pH 1; Temp: 25 ° C	(1) ACD
Kokéieren	6.87 x 106	pH 2; Temp: 25 ° C	(1) ACD
Kokéieren	9.08 x 106	pH 3; Temp: 25 ° C	(1) ACD
Kokéieren	9.38 x 106	pH 4; Temp: 25 ° C	(1) ACD
Kokéieren	9.39 X 106	pH 5; Temp: 25 ° C	(1) ACD
Kokéieren	9.19 X 106	pH 6; Temp: 25 ° C	(1) ACD
Kokéieren	7.53 x 106	pH 7; Temp: 25 ° C	(1) ACD

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Kokéieren	2.73 x 106	pH 8; Temp: 25 ° C	(1) ACD
Kokéieren	4.48 x 105	pH 9; Temp: 25 ° C	(1) ACD
Kokéieren	1.31 x 105	ph 10; Temp: 25 ° C	(1) ACD
Aloggenlogt	9.62	pH 1; Temp: 25 ° C	(1) ACD
Aloggenlogt	10.15	pH 2; Temp: 25 ° C	(1) ACD
Aloggenlogt	10.27	pH 3; Temp: 25 ° C	(1) ACD
Aloggenlogt	10.29	pH 4; Temp: 25 ° C	(1) ACD
Aloggenlogt	10.29	pH 5; Temp: 25 ° C	(1) ACD
Aloggenlogt	10.28	pH 6; Temp: 25 ° C	(1) ACD
Aloggenlogt	10.19	pH 7; Temp: 25 ° C	(1) ACD
Aloggenlogt	9.75	pH 8; Temp: 25 ° C	(1) ACD
Aloggenlogt	8.977	pH 9; Temp: 25 ° C	(1) ACD
Aloggenlogt	8.43	ph 10; Temp: 25 ° C	(1) ACD
AloggenO Aloggen	10.291 ± 0.708	Temp: 25 ° C	(1) ACD
Mass intrinsesch Solubilitéit	1.1 x 10-6 g / l	Temp: 25 ° C	(1) ACD
Massebelibilitéit	4.8 x 10-6 g / l	pH 1; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.4 x 10-6 g / l	pH 2; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.1 x 10-6 g / l	pH 3; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.0 x 10-6 g / l	pH 4; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.0 x 10-6 g / l	pH 5; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.0 x 10-6 g / l	pH 6; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.3 x 10-6 g / l	pH 7; Temp: 25 ° C	(1) ACD
Massebelibilitéit	3.5 x 10-6 g / l	pH 8; Temp: 25 ° C	(1) ACD
Massebelibilitéit	2.2 x 10-5 g / l	pH 9; Temp: 25 ° C	(1) ACD
Massebelibilitéit	7.6 x 10-5 g / l	ph 10; Temp: 25 ° C	(1) ACD
Massebelibilitéit	1.3 x 10-6 g / l	Ongebrach Waasser ph 7.00; Temp: 25 ° C	(1) ACD
Molar intrinsesch Solubilitéit	1.4 x 10-9 MOL / L	Temp: 25 ° C	(1) ACD
Molar sublabilitéit	6.1 x 10-9 MOL / L	pH 1; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.8 x 10-9 MOL / L	pH 2; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.4 x 10-9 MOL / L	pH 3; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.3 x 10-9 MOL / L	pH 4; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.3 x 10-9 MOL / L	pH 5; Temp: 25 ° C	(1) ACD

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Molar sublabilitéit	1.3 x 10-9 MOL / L	pH 6; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.6 X 10-9 MOL / L	pH 7; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	4,5 x 10-9 MOL / L	pH 8; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	2.8 x 10-8 MOL / L	pH 9; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	9.6 x 10-8 MOL / L	ph 10; Temp: 25 ° C	(1) ACD
Molar sublabilitéit	1.6 X 10-9 MOL / L	Ongebrach Waasser ph 7.00; Temp: 25 ° C	(1) ACD
Molekular Gewiicht	787.98
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	1.23 ± 0,1 G / CM3	Trëpp: 20 ° C; Press: 760 Torr	(1) ACD
Molar Volumen	639.5 ± 7.0 cm3 / Mol	Trëpp: 20 ° C; Press: 760 Torr	(1) ACD

Lipinski

Prowalange	Wäert	Bedingchmëttel	Quellatioun
Fräi rotativ Obligatiounen	14		(1) ACD
H Akzeptoren	12		(1) ACD
H Donateuren	2		(1) ACD
H Spender / Acceptor Zomm	14		(1) ACD
AloggenO Aloggen	10.291 ± 0.708	Temp: 25 ° C	(1) ACD
Molekular Gewiicht	787.98