C13h19n5o5 Adenosine, 2 '-o- Methoxyethyl) - (9ci, ACI)

Basisynformaasje:

Stjoer e-post nei ús

Produkt detail

Produkt tags

Substânsje detail

CAS Registry Number

168427-74-5

Kaai fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	325.32	-
Siedend punt (foarsizze)	639,0 ± 65,0 ° C	Parse: 760 Torr
Tichtheid (foarsizze)	1,70 ± 0,1 g / cm3	Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze)	13.12 ± 0,70	Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes

OCC1OC (N2C = NC = 3C (= NC = NC32) n) C (Occoc) C1O

Isomeryske glimkes

O (ccoc) [c @ h] 1 [c @@ h] (o [c @ h] (co) [c @) [c @ h] 1o) n2c = 3c (n = c2) = c (n) n = cn3

Inchi

Inchi = 1s / c13h19n5o5 / c1-21-2-3-22-10-9 (20) 7 (10) 7 (10) 18-6-17-8-11 (14) 15-5-16-12 (8) 18 / H5-7,9-10.13,19-20h, 2-4h2,1h3, (H2.14,15,16) / T7-, 9-, 10-, 13- / M1 / S1

Inchi-kaai

Pudxujrjlrljiu-qyvstxnmsa-n

1 oare namme foar dizze substansje

2 '-O- (2-methoxyethyl) adenosine (ACI)

Spectra te krijen
1 h nmr
13 C NMR

Foarsichtich eigenskippen

Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre
Thermal

Biologysk

Besit	Wearde	Betingst	Boarne
Bioconcentration Factor	1.0	pH 1; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 2; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 3; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 4; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.18	pH 5; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.31	pH 6; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.32	pH 7; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.32	pH 8; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.32	pH 9; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	1.32	pH 10; Temp: 25 ° C	(1) ACD

Gemysk

Besit	Wearde	Betingst	Boarne
Koc	1.0	pH 1; Temp: 25 ° C	(1) ACD
Koc	1.0	pH 2; Temp: 25 ° C	(1) ACD
Koc	3,39	pH 3; Temp: 25 ° C	(1) ACD
Koc	19.4	pH 4; Temp: 25 ° C	(1) ACD
Koc	38.0	pH 5; Temp: 25 ° C	(1) ACD
Koc	42.0	pH 6; Temp: 25 ° C	(1) ACD
Koc	42,5	pH 7; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Koc	42,5	pH 8; Temp: 25 ° C	(1) ACD
Koc	42,5	pH 9; Temp: 25 ° C	(1) ACD
Koc	42,5	pH 10; Temp: 25 ° C	(1) ACD
Logd	-1.94	pH 1; Temp: 25 ° C	(1) ACD
Logd	-1.48	pH 2; Temp: 25 ° C	(1) ACD
Logd	-0.64	pH 3; Temp: 25 ° C	(1) ACD
Logd	0.12	pH 4; Temp: 25 ° C	(1) ACD
Logd	0.41	pH 5; Temp: 25 ° C	(1) ACD
Logd	0.46	pH 6; Temp: 25 ° C	(1) ACD
Logd	0.46	pH 7; Temp: 25 ° C	(1) ACD
Logd	0.46	pH 8; Temp: 25 ° C	(1) ACD
Logd	0.46	pH 9; Temp: 25 ° C	(1) ACD
Logd	0.46	pH 10; Temp: 25 ° C	(1) ACD
Logp	0.462 ± 0.647	Temp: 25 ° C	(1) ACD
Massa intrinsike oplosmiddel	4.2 G / L	Temp: 25 ° C	(1) ACD
Massa-oplosberens	999 g / l	pH 1; Temp: 25 ° C	(1) ACD
Massa-oplosberens	381 g / l	pH 2; Temp: 25 ° C	(1) ACD
Massa-oplosberens	55 g / l	pH 3; Temp: 25 ° C	(1) ACD
Massa-oplosberens	9,4 g / l	pH 4; Temp: 25 ° C	(1) ACD
Massa-oplosberens	4.9 g / l	pH 5; Temp: 25 ° C	(1) ACD
Massa-oplosberens	4.2 G / L	pH 6; Temp: 25 ° C	(1) ACD
Massa-oplosberens	4.2 G / L	pH 7; Temp: 25 ° C	(1) ACD
Massa-oplosberens	4.2 G / L	pH 8; Temp: 25 ° C	(1) ACD
Massa-oplosberens	4.2 G / L	pH 9; Temp: 25 ° C	(1) ACD
Massa-oplosberens	4.2 G / L	pH 10; Temp: 25 ° C	(1) ACD
Massa-oplosberens	4.2 G / L	Unbuffered wetter pH 8.08; Temp: 25 ° C	(1) ACD
Molêre yntrinsike oplosmiddel	0.013 Mol / L	Temp: 25 ° C	(1) ACD
Milarlabiliteit	3.07 Mol / L	pH 1; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.17 Mol / L	pH 2; Temp: 25 ° C	(1) ACD
Milarlabiliteit	0.17 Mol / L	pH 3; Temp: 25 ° C	(1) ACD
Milarlabiliteit	0.029 Mol / L	pH 4; Temp: 25 ° C	(1) ACD
Milarlabiliteit	0.015 Mol / L	pH 5; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Milarlabiliteit	0.013 Mol / L	pH 6; Temp: 25 ° C	(1) ACD
Milarlabiliteit	0.013 Mol / L	pH 7; Temp: 25 ° C	(1) ACD
Milarlabiliteit	0.013 Mol / L	pH 8; Temp: 25 ° C	(1) ACD
Milarlabiliteit	0.013 Mol / L	pH 9; Temp: 25 ° C	(1) ACD
Milarlabiliteit	0.013 Mol / L	pH 10; Temp: 25 ° C	(1) ACD
Milarlabiliteit	0.013 Mol / L	Unbuffered wetter pH 8.08; Temp: 25 ° C	(1) ACD
Molekulêr gewicht	325.32
pka	13.12 ± 0,70	Meast Acidic Temp: 25 ° C	(1) ACD
pka	3,82 ± 0.10	Meast basic temp: 25 ° C	(1) ACD
Dampdruk	3.35 x 10-17 Torr	Temp: 25 ° C	(1) ACD

Densheid

Besit	Wearde	Betingst	Boarne
Densheid	1,70 ± 0,1 g / cm3	Temp: 20 ° C; Parse: 760 Torr	(1) ACD
Molar volume	191.2 ± 7,0 cm3 / Mol	Temp: 20 ° C; Parse: 760 Torr	(1) ACD

Lipinski

Besit	Wearde	Betingst	Boarne
Frij rotatbere bonnen	8		(1) ACD
H akseptearders	10		(1) ACD
H Donors	4		(1) ACD
H Donor / akseptearje SUM	14		(1) ACD
Logp	0.462 ± 0.647	Temp: 25 ° C	(1) ACD
Molekulêr gewicht	325.32

Struktuer relatearre

Besit	Wearde	Betingst boarne
Polar oerflak	138 A2	(1) ACD

Besit	Wearde	Betingst	Boarne
Siedpunt	639,0 ± 65,0 ° C	Parse: 760 Torr	(1) ACD
Enthalpy fan Vaporization	99.17 ± 3.0 kj / mol	Parse: 760 Torr	(1) ACD
Flash Point	340.2 ± 34,3 ° C		(1) ACD