C39h3771 adenosine, n-benzoyl-5'-O- [metroxyphenyl) phenylmethyl] -2'ci-methyl- (9ci, ACI) mufananidzo unoratidzwa

C3HH377A7 Adenosine, N-Benzoyl-5'-O- [methyphenyl) phenylmethyl] -2'- O-Methyl- (9ci, ACI)

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Zvigadzirwa tags

Zvivakwa zvemuviri

Key Force Properties	Kukosha	Mamiriro
Sreek inoremerwa	687.74	-
Density (yakafanotaurwa)	1.32 ± 0.1 g / cm3	Temp: 20 ° C; Press: 760 Torr
PKA (akafanotaura)	7.87 × 0.43	Yakawanda Acadic Temp: 25 ° C

Mamwe mazita uye azvizivisi

Canonical Smiles O = C (NC1 = NC2 = CN2C = CC = C (CC = C (C5) C (O) C3C) C = 7C = CC.C3 CC = CC = CC
Isomeric anonyemwerera
C (OC [c @ h] 1o [c @ h] (c @ h] (c) C7 = CC = CC = C7
Ichi
Inchi = 1S / c39h37n5O7 / C1-47-29-18-16-27) 39 (26-12-8-9-9-9-16-16-30 (48-27) 50-22) 21-17-31-33 (45) 34 (59) 38 (51- 31) 44-24-42-33-3-35 (40) 44) 43-37 (46) 25-16-7-11,33-34 ,,23-33-3 22,43 43- 43- ,,,,4
34-, 38- / M1 / S1
Inchi kiyi
Sarhdaqoznkzcc-cjegosrcsa-n
1 rimwe zita rechinhu ichi
N-benzoyl-5'-O- [bis (4-methyphenyl) phenylmethyl] -2'-o-methylagenine (ACI)

Kuedza Spectra

Spectra inowanikwa
1h Nmr
13c NMR
Misa

Yakafanotaura zvivakwa

Zvivakwa zviripo
Biological
CHEMICAL
Density
Lipininski
Chimiro chakabatana

Biological

Chivakwa	Kukosha	Mamiriro	Kunobva
Bioconentice Factor	47800	ph 1; Temp: 25 ° C	(1) ACD
Bioconentice Factor	1.63 x 105	Ph 2; Temp: 25 ° C	(1) ACD
Bioconentice Factor	2.16 x 105	Ph 3; Temp: 25 ° C	(1) ACD
Bioconentice Factor	2.23 x 105	Ph 4; Temp: 25 ° C	(1) ACD
Bioconentice Factor	2.23 x 105	Ph 5; Temp: 25 ° C	(1) ACD
Bioconentice Factor	2.18 x 105	Ph 6; Temp: 25 ° C	(1) ACD
Bioconentice Factor	1.79 x 105	Ph7; Temp: 25 ° C	(1) ACD
Bioconentice Factor	64900	Ph:; Temp: 25 ° C	(1) ACD
Bioconentice Factor	10600	Ph 9; Temp: 25 ° C	(1) ACD
Bioconentice Factor	3110	Ph 10; Temp: 25 ° C	(1) ACD

CHEMICAL

Chivakwa	Kukosha	Mamiriro	Kunobva
Koc	50200	ph 1; Temp: 25 ° C	(1) ACD
Koc	1.71 x 105	Ph 2; Temp: 25 ° C	(1) ACD
Koc	2.26 x 105	Ph 3; Temp: 25 ° C	(1) ACD
Koc	2.34 x 105	Ph 4; Temp: 25 ° C	(1) ACD
Koc	2.34 x 105	Ph 5; Temp: 25 ° C	(1) ACD
Koc	2.29 x 105	Ph 6; Temp: 25 ° C	(1) ACD
Koc	1.88 x 105	Ph7; Temp: 25 ° C	(1) ACD

Chivakwa	Kukosha	Mamiriro	Kunobva
Koc	68000	Ph:; Temp: 25 ° C	(1) ACD
Koc	11200	Ph 9; Temp: 25 ° C	(1) ACD
Koc	3260	Ph 10; Temp: 25 ° C	(1) ACD
Logd	6.67	ph 1; Temp: 25 ° C	(1) ACD
Logd	7.21	Ph 2; Temp: 25 ° C	(1) ACD
Logd	7.33	Ph 3; Temp: 25 ° C	(1) ACD
Logd	7.34	Ph 4; Temp: 25 ° C	(1) ACD
Logd	7.34	Ph 5; Temp: 25 ° C	(1) ACD
Logd	7.33	Ph 6; Temp: 25 ° C	(1) ACD
Logd	7.25	Ph7; Temp: 25 ° C	(1) ACD
Logd	6.80	Ph:; Temp: 25 ° C	(1) ACD
Logd	6.02	Ph 9; Temp: 25 ° C	(1) ACD
Logd	5.49	Ph 10; Temp: 25 ° C	(1) ACD
logp	7.344 ± 0.723	Temp: 25 ° C	(1) ACD
Misa intrinsic solubility	2.7 x 10-6 g / l	Temp: 25 ° C	(1) ACD
Misa Solubility	1.2 x 10-5 G / L	ph 1; Temp: 25 ° C	(1) ACD
Misa Solubility	3.7 x 10-6 g / l	Ph 2; Temp: 25 ° C	(1) ACD
Misa Solubility	2.8 x 10-6 g / l	Ph 3; Temp: 25 ° C	(1) ACD
Misa Solubility	2.8 x 10-6 g / l	Ph 4; Temp: 25 ° C	(1) ACD
Misa Solubility	2.8 x 10-6 g / l	Ph 5; Temp: 25 ° C	(1) ACD
Misa Solubility	2.8 x 10-6 g / l	Ph 6; Temp: 25 ° C	(1) ACD
Misa Solubility	3.4 x 10-6 g / l	Ph7; Temp: 25 ° C	(1) ACD
Misa Solubility	9.6 x 10-6 g / l	Ph:; Temp: 25 ° C	(1) ACD
Misa Solubility	5.7 x 10-5 g / l	Ph 9; Temp: 25 ° C	(1) ACD
Misa Solubility	1.9 x 10-4 g / l	Ph 10; Temp: 25 ° C	(1) ACD
Misa Solubility	3.4 x 10-6 g / l	Mvura isina kuvharwa Ph 9 7.00; Temp: 25 ° C	(1) ACD
Molar Intrinsic Solubility	3.9 x 10-9 mol / l	Temp: 25 ° C	(1) ACD
Moul solubility	1.8 x 10-8 Mol / l	ph 1; Temp: 25 ° C	(1) ACD
Moul solubility	5.4 x 10-9 mol / l	Ph 2; Temp: 25 ° C	(1) ACD
Moul solubility	4.1 x 10-9 mol / l	Ph 3; Temp: 25 ° C	(1) ACD
Moul solubility	4.0 x 10-9 mol / l	Ph 4; Temp: 25 ° C	(1) ACD
Moul solubility	4.0 x 10-9 mol / l	Ph 5; Temp: 25 ° C	(1) ACD

Chivakwa	Kukosha	Mamiriro	Kunobva
Moul solubility	4.0 x 10-9 mol / l	Ph 6; Temp: 25 ° C	(1) ACD
Moul solubility	4.9 x 10-9 mol / l	Ph7; Temp: 25 ° C	(1) ACD
Moul solubility	1.4 x 10-8 mol / l	Ph:; Temp: 25 ° C	(1) ACD
Moul solubility	8.3 x 10-8 Mol / l	Ph 9; Temp: 25 ° C	(1) ACD
Moul solubility	2.8 x 10-7 Mol / l	Ph 10; Temp: 25 ° C	(1) ACD
Moul solubility	4.9 x 10-9 mol / l	Mvura isina kuvharwa Ph 9 7.00; Temp: 25 ° C	(1) ACD
Sreek inoremerwa	687.74
Pka	7.87 × 0.43	Yakawanda Acadic Temp: 25 ° C	(1) ACD
Pka	1.39 ± 0.10	Yakanyanya kukosha temp: 25 ° C	(1) ACD

Density

Chivakwa	Kukosha	Mamiriro	Kunobva
Density	1.32 ± 0.1 g / cm3	Temp: 20 ° C; Press: 760 Torr	(1) ACD
Malal vhoriyamu	518.5 × 7.0 cm3 / mol	Temp: 20 ° C; Press: 760 Torr	(1) ACD

Lipininski

Chivakwa	Kukosha	Mamiriro	Kunobva
Zvisikwa zvakasununguka zvinosununguka	12		(1) ACD
H Acceltors	12		(1) ACD
H Vanopa	2		(1) ACD
H Anopa / Mugamuchire Sum	14		(1) ACD
logp	7.344 ± 0.723	Temp: 25 ° C	(1) ACD
Sreek inoremerwa	687.74