C20h23N5O6 Adenosine, N-Benzoyl-2'-O-(2-Methoxyethyl) - (9Ci, Aci)

Cov Lus Qhia Yooj Yim:

Xa email rau peb

Khoom Qhia Qhia

Khoom Ntawv

Cov Khoom Siv Lub Cev

Cov Khoom Tseem Ceeb	Tus nqi	Yam tseem ceeb
Molecular hnyav	429.43	-
Ntom ntom (kwv yees)	1.53 ± 0.1 g / cm3	Temp: 20 ° C; XOVXWM: 760 Torr
PKA (kwv yees)	13.15 ± 0.70	Feem ntau acidic temp: 25 ° C

Lwm lub npe thiab cov cim

Canonical smiles o = NC1 = NC = NC2 = NC2 = CN2C3OC (CE) C (O) C3OCC) C = 4C = CC = CC4
Isomic luag o (CCOC) [C @ H] 1 [C @O H] (O [C MP3) = CC = CC = C4) N = CN3
Tus hauv onei
Inchi = 1s / C20h23N5O6 / C1-29-7-8-30-16-15 (14) 0-11,13,15-16,26-27h, 7-9h2,1h3, (H, 21,28) / T13-, 15-, 20- / M1 / S1
Inchi tus yuam sij
Rufjmcsvnngzfb-khtyjdqrsa-n
2 lwm lub npe rau cov khoom siv no
N-benzoyl-2'-o- (met- metoxyethyl) adenosine (ACI); N6-Benzoyl-2'-O- (2-methoxyethyl) Adenosine

Sim spectra

Spectra muaj
1h nmr
13C NMR

Kwv yees cov thaj chaw

Cov khoom muaj

Kev muaj txuj Ci

Tshuaj

Ceev

Ncauj lus di ncauj

Cov qauv muaj feem xyuam

Kev muaj txuj Ci

Ntiag tug	Tus nqi	Yam tseem ceeb	Lub hauv paus
Bioconclivration qhov tseem ceeb	3.71	PH 1; Temp: 25 ° C	(1) ACD
Bioconclivration qhov tseem ceeb	14.6	PHA 2; Temp: 25 ° C	(1) ACD
Bioconclivration qhov tseem ceeb	20.9	PH 3; Temp: 25 ° C	(1) ACD
Bioconclivration qhov tseem ceeb	21.8	PH 4; Temp: 25 ° C	(1) ACD
Bioconclivration qhov tseem ceeb	21.9	PH 5; Temp: 25 ° C	(1) ACD
Bioconclivration qhov tseem ceeb	21.8	p.c; Temp: 25 ° C	(1) ACD
Bioconclivration qhov tseem ceeb	21.4	pH 7; Temp: 25 ° C	(1) ACD
Bioconclivration qhov tseem ceeb	17.6	PH 8; Temp: 25 ° C	(1) ACD
Bioconclivration qhov tseem ceeb	6.52	PH 9; Temp: 25 ° C	(1) ACD
Bioconclivration qhov tseem ceeb	1.08	pH 10; Temp: 25 ° C	(1) ACD

Tshuaj

Ntiag tug	Tus nqi	Yam tseem ceeb	Lub hauv paus
Txhim hoom	53.2	PH 1; Temp: 25 ° C	(1) ACD
Txhim hoom	210	PHA 2; Temp: 25 ° C	(1) ACD
Txhim hoom	299	PH 3; Temp: 25 ° C	(1) ACD
Txhim hoom	312	PH 4; Temp: 25 ° C	(1) ACD
Txhim hoom	314	PH 5; Temp: 25 ° C	(1) ACD
Txhim hoom	313	p.c; Temp: 25 ° C	(1) ACD
Txhim hoom	306	pH 7; Temp: 25 ° C	(1) ACD
Txhim hoom	253	PH 8; Temp: 25 ° C	(1) ACD

Ntiag tug	Tus nqi	Yam tseem ceeb	Lub hauv paus
Txhim hoom	93.5	PH 9; Temp: 25 ° C	(1) ACD
Txhim hoom	15.5	pH 10; Temp: 25 ° C	(1) ACD
logd	1.30	PH 1; Temp: 25 ° C	(1) ACD
logd	1.90	PHA 2; Temp: 25 ° C	(1) ACD
logd	2.05	PH 3; Temp: 25 ° C	(1) ACD
logd	2.07	PH 4; Temp: 25 ° C	(1) ACD
logd	2.07	PH 5; Temp: 25 ° C	(1) ACD
logd	2.07	p.c; Temp: 25 ° C	(1) ACD
logd	2.06	pH 7; Temp: 25 ° C	(1) ACD
logd	1.98	PH 8; Temp: 25 ° C	(1) ACD
logd	1.54	PH 9; Temp: 25 ° C	(1) ACD
logd	0.76	pH 10; Temp: 25 ° C	(1) ACD
lub cim	2.085 ± 0.689	Temp: 25 ° C	(1) ACD
Kev ua yeeb yam loj solubility solubility	0.030 g / l	Temp: 25 ° C	(1) ACD
Loj solubility	0.17 g / l	PH 1; Temp: 25 ° C	(1) ACD
Loj solubility	0.0429 g / l	PHA 2; Temp: 25 ° C	(1) ACD
Loj solubility	0.030 g / l	PH 3; Temp: 25 ° C	(1) ACD
Loj solubility	0.029 g / l	PH 4; Temp: 25 ° C	(1) ACD
Loj solubility	0.029 g / l	PH 5; Temp: 25 ° C	(1) ACD
Loj solubility	0.029 g / l	p.c; Temp: 25 ° C	(1) ACD
Loj solubility	0.029 g / l	pH 7; Temp: 25 ° C	(1) ACD
Loj solubility	0.036 g / l	PH 8; Temp: 25 ° C	(1) ACD
Loj solubility	0.094 g / l	PH 9; Temp: 25 ° C	(1) ACD
Loj solubility	0.60 g / l	pH 10; Temp: 25 ° C	(1) ACD
Loj solubility	0.029 g / l	Unbuffered dej pH 6.38; Temp: 25 ° C	(1) ACD
Molar intrinsic solubility	7.0 x 10-5 mol / l	Temp: 25 ° C	(1) ACD
Raug solubility	3.9 x 10-4 mol / l	PH 1; Temp: 25 ° C	(1) ACD
Raug solubility	1.00 x 10-4 mol / l	PHA 2; Temp: 25 ° C	(1) ACD
Raug solubility	7.0 x 10-5 mol / l	PH 3; Temp: 25 ° C	(1) ACD
Raug solubility	6.7 x 10-5 mol / l	PH 4; Temp: 25 ° C	(1) ACD
Raug solubility	6.7 x 10-5 mol / l	PH 5; Temp: 25 ° C	(1) ACD
Raug solubility	6.7 x 10-5 mol / l	p.c; Temp: 25 ° C	(1) ACD

Ntiag tug	Tus nqi	Yam tseem ceeb	Lub hauv paus
Raug solubility	6.8 x 10-5 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Raug solubility	8.3 x 10-5 mol / l	PH 8; Temp: 25 ° C	(1) ACD
Raug solubility	2.2 x 10-4 mol / l	PH 9; Temp: 25 ° C	(1) ACD
Raug solubility	1.4 x 10-3 mol / l	pH 10; Temp: 25 ° C	(1) ACD
Raug solubility	6.7 x 10-5 mol / l	Unbuffered dej pH 6.38; Temp: 25 ° C	(1) ACD
Molecular hnyav	429.43
pa kua muag	13.15 ± 0.70	Feem ntau acidic temp: 25 ° C	(1) ACD
pa kua muag	8.80 ± 0.10	Feem ntau cov sam luam: 25 ° C	(1) ACD

Ceev

Ntiag tug	Tus nqi	Yam tseem ceeb	Lub hauv paus
Ceev	1.53 ± 0.1 g / cm3	Temp: 20 ° C; XOVXWM: 760 Torr	(1) ACD
Cov pob zeb ntim	280.3 ± 7.0 CM3 / Mol	Temp: 20 ° C; XOVXWM: 760 Torr	(1) ACD

Ncauj lus di ncauj

Ntiag tug	Tus nqi	Yam tseem ceeb	Lub hauv paus
Dawb doatable bonds	9		(1) ACD
H neeg txais	11		(1) ACD
H pub dawb	3		(1) ACD
H pub dawb / txais nyiaj	14		(1) ACD
lub cim	2.085 ± 0.689	Temp: 25 ° C	(1) ACD
Molecular hnyav	429.43