C20H23N5O6 Aenosine, N-benzoyl-2'-o- (2-Methoxyethyl) - (9Ci, ACI) featured ôfbylding

C20H23N5O6 Adenosine, N-benzoyl-2'-o- (2-methoxyethyl) - (9CI, ACI)

Basisynformaasje:

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Produkt detail

Produkt tags

Fysike eigenskippen

Kaai fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	429.43	-
Tichtheid (foarsizze)	1,53 ± 0,1 g / cm3	Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze)	13.15 ± 0,70	Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes o = c (nc1 = nc = nc2 = c1n = cn2c3oc (co) c (o) c3occoc) c = 4c = cc = cc4
Isomeryske glimkes o (ccoc) [c @ h] 1 [c @@ h] (CO) [C @) [CO) [C @ h] 1O) N2C = 3C (NC (= O) C4 = CC = CC = C4) n = CN3
Inchi
Inchi = 1s / c20h23n5o6 / c1-29-8-8-8-8-8-16-15 (27) 13 (9-26 (16) 25-13-23-14 (21-10-22-18 (14-10-22-18 (14) 25) 24-19 (28) 12-3-2-4-6-12 / H2-6,1 0-11,13,15-16,20.26-27, 7-9h2,1H3, (H, 21.22,24,28) / T13-, 15-, 16-, 20- / M1 / S1
Inchi-kaai
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2 oare nammen foar dizze substansje
N-benzoyl-2'-o- (2-methoxyethyl) adenosine (aci); N6-Benzoyl-2'-o- (2-methoxyethyl) adenosine

Eksperimintele spektra

Spectra te krijen
1h nmr
13C NMR

Foarsichtich eigenskippen

Eigenskippen beskikber

Biologysk

Gemysk

Densheid

Lipinski

Struktuer relatearre

Biologysk

Besit	Wearde	Betingst	Boarne
Bioconcentration Factor	3.71	pH 1; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	14.6	pH 2; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	20.9	pH 3; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	21.8	pH 4; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	21.9	pH 5; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	21.8	pH 6; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	21.4	pH 7; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	17.6	pH 8; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	6.52	pH 9; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.08	pH 10; Temp: 25 ° C	(1) ACD

Gemysk

Besit	Wearde	Betingst	Boarne
Koc	53.2	pH 1; Temp: 25 ° C	(1) ACD
Koc	210	pH 2; Temp: 25 ° C	(1) ACD
Koc	299	pH 3; Temp: 25 ° C	(1) ACD
Koc	312	pH 4; Temp: 25 ° C	(1) ACD
Koc	314	pH 5; Temp: 25 ° C	(1) ACD
Koc	313	pH 6; Temp: 25 ° C	(1) ACD
Koc	306	pH 7; Temp: 25 ° C	(1) ACD
Koc	253	pH 8; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Koc	93.5	pH 9; Temp: 25 ° C	(1) ACD
Koc	15.5	pH 10; Temp: 25 ° C	(1) ACD
Logd	1.30	pH 1; Temp: 25 ° C	(1) ACD
Logd	1.90	pH 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	pH 6; 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
Logp	2.085 ± 0.689	Temp: 25 ° C	(1) ACD
Massa intrinsike oplosmiddel	0.030 g / l	Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.17 g / l	pH 1; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.0429 G / L	pH 2; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.030 g / l	pH 3; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.029 G / L	pH 4; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.029 G / L	pH 5; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.029 G / L	pH 6; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.029 G / L	pH 7; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,036 g / l	pH 8; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,094 g / l	pH 9; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,60 g / l	pH 10; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.029 G / L	Unbuffered wetter Ph 6.38; Temp: 25 ° C	(1) ACD
Molêre yntrinsike oplosmiddel	7.0 x 10-5 mol / L	Temp: 25 ° C	(1) ACD
Milarlabiliteit	3,9 x 10-4 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1,00 x 10-4 mol / l	pH 2; Temp: 25 ° C	(1) ACD
Milarlabiliteit	7.0 x 10-5 mol / L	pH 3; Temp: 25 ° C	(1) ACD
Milarlabiliteit	6.7 x 10-5 mol / L	pH 4; Temp: 25 ° C	(1) ACD
Milarlabiliteit	6.7 x 10-5 mol / L	pH 5; Temp: 25 ° C	(1) ACD
Milarlabiliteit	6.7 x 10-5 mol / L	pH 6; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Milarlabiliteit	6,8 x 10-5 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Milarlabiliteit	8.3 x 10-5 mol / l	pH 8; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2,2 x 10-4 Mol / L	pH 9; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1,4 x 10-3 Mol / L	pH 10; Temp: 25 ° C	(1) ACD
Milarlabiliteit	6.7 x 10-5 mol / L	Unbuffered wetter Ph 6.38; Temp: 25 ° C	(1) ACD
Molekulêr gewicht	429.43
pka	13.15 ± 0,70	Meast Acidic Temp: 25 ° C	(1) ACD
pka	8,80 ± 0.10	Meast basic temp: 25 ° C	(1) ACD

Densheid

Besit	Wearde	Betingst	Boarne
Densheid	1,53 ± 0,1 g / cm3	Temp: 20 ° C; Parse: 760 Torr	(1) ACD
Molar volume	280,3 ± 7,0 cm3 / mol	Temp: 20 ° C; Parse: 760 Torr	(1) ACD

Lipinski

Besit	Wearde	Betingst	Boarne
Frij rotatbere bonnen	9		(1) ACD
H akseptearders	11		(1) ACD
H Donors	3		(1) ACD
H Donor / akseptearje SUM	14		(1) ACD
Logp	2.085 ± 0.689	Temp: 25 ° C	(1) ACD
Molekulêr gewicht	429.43