C13H19N5O5 Adenosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)

Zambiri Zoyambira:

Titumizireni imelo

Tsatanetsatane wa Zamalonda

Zolemba Zamalonda

Tsatanetsatane wa Mankhwala

Nambala ya Registry ya CAS

168427-74-5

Zofunika Zathupi	Mtengo	Mkhalidwe
Kulemera kwa Maselo	325.32	-
Boiling Point (Zonenedweratu)	639.0±65.0 °C	Press: 760 Torr
Kachulukidwe (Zonenedweratu)	1.70±0.1 g/cm3	Kutentha: 20 ° C;Press: 760 Torr
pKa (Zonenedweratu)	13.12±0.70	Kutentha Kwambiri kwa Acid: 25 ° C

Mayina Ena ndi Zizindikiritso

Canonical SMILES

OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O

Isomeric AMAmwetulira

O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3

InChi

InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(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 Key

PUDXUJRJLRLJIU-QYVSTXNMSA-N

1 Dzina Lina la chinthu ichi

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

Spectra ilipo
1H NMR
13 C NMR

Zonenedweratu Katundu

Katundu zilipo
Zachilengedwe
Chemical
Kuchulukana
Lipinski
Zogwirizana ndi Kapangidwe
Kutentha

Zachilengedwe

Katundu	Mtengo	Mkhalidwe	Gwero
Bioconcentration Factor	1.0	pH 1;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 2;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 3;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 4;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.18	pH 5;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.31	pH 6;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.32	pH 7;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.32	pH 8;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.32	pH 9;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	1.32	pH 10;Kutentha: 25 ° C	(1) ACD

Chemical

Katundu	Mtengo	Mkhalidwe	Gwero
Koc	1.0	pH 1;Kutentha: 25 ° C	(1) ACD
Koc	1.0	pH 2;Kutentha: 25 ° C	(1) ACD
Koc	3.39	pH 3;Kutentha: 25 ° C	(1) ACD
Koc	19.4	pH 4;Kutentha: 25 ° C	(1) ACD
Koc	38.0	pH 5;Kutentha: 25 ° C	(1) ACD
Koc	42.0	pH 6;Kutentha: 25 ° C	(1) ACD
Koc	42.5	pH 7;Kutentha: 25 ° C	(1) ACD

Katundu	Mtengo	Mkhalidwe	Gwero
Koc	42.5	pH 8;Kutentha: 25 ° C	(1) ACD
Koc	42.5	pH 9;Kutentha: 25 ° C	(1) ACD
Koc	42.5	pH 10;Kutentha: 25 ° C	(1) ACD
logD	-1.94	pH 1;Kutentha: 25 ° C	(1) ACD
logD	-1.48	pH 2;Kutentha: 25 ° C	(1) ACD
logD	-0.64	pH 3;Kutentha: 25 ° C	(1) ACD
logD	0.12	pH 4;Kutentha: 25 ° C	(1) ACD
logD	0.41	pH 5;Kutentha: 25 ° C	(1) ACD
logD	0.46	pH 6;Kutentha: 25 ° C	(1) ACD
logD	0.46	pH 7;Kutentha: 25 ° C	(1) ACD
logD	0.46	pH 8;Kutentha: 25 ° C	(1) ACD
logD	0.46	pH 9;Kutentha: 25 ° C	(1) ACD
logD	0.46	pH 10;Kutentha: 25 ° C	(1) ACD
logP	0.462±0.647	Kutentha: 25 ° C	(1) ACD
Mass Intrinsic Solubility	4.2g/L	Kutentha: 25 ° C	(1) ACD
Misa Solubility	999g/l	pH 1;Kutentha: 25 ° C	(1) ACD
Misa Solubility	381g/l	pH 2;Kutentha: 25 ° C	(1) ACD
Misa Solubility	55g/l	pH 3;Kutentha: 25 ° C	(1) ACD
Misa Solubility	9.4g/l	pH 4;Kutentha: 25 ° C	(1) ACD
Misa Solubility	4.9g/l	pH 5;Kutentha: 25 ° C	(1) ACD
Misa Solubility	4.2g/L	pH 6;Kutentha: 25 ° C	(1) ACD
Misa Solubility	4.2g/L	pH 7;Kutentha: 25 ° C	(1) ACD
Misa Solubility	4.2g/L	pH 8;Kutentha: 25 ° C	(1) ACD
Misa Solubility	4.2g/L	pH 9;Kutentha: 25 ° C	(1) ACD
Misa Solubility	4.2g/L	pH 10;Kutentha: 25 ° C	(1) ACD
Misa Solubility	4.2g/L	Madzi Osasunthika pH 8.08;Kutentha: 25 ° C	(1) ACD
Molar Intrinsic Solubility	0.013 mol / L	Kutentha: 25 ° C	(1) ACD
Molar Solubility	3.07 mol / L	pH 1;Kutentha: 25 ° C	(1) ACD
Molar Solubility	1.17 mol / L	pH 2;Kutentha: 25 ° C	(1) ACD
Molar Solubility	0.17 mol / L	pH 3;Kutentha: 25 ° C	(1) ACD
Molar Solubility	0.029 mol / L	pH 4;Kutentha: 25 ° C	(1) ACD
Molar Solubility	0.015 mol / L	pH 5;Kutentha: 25 ° C	(1) ACD

Katundu	Mtengo	Mkhalidwe	Gwero
Molar Solubility	0.013 mol / L	pH 6;Kutentha: 25 ° C	(1) ACD
Molar Solubility	0.013 mol / L	pH 7;Kutentha: 25 ° C	(1) ACD
Molar Solubility	0.013 mol / L	pH 8;Kutentha: 25 ° C	(1) ACD
Molar Solubility	0.013 mol / L	pH 9;Kutentha: 25 ° C	(1) ACD
Molar Solubility	0.013 mol / L	pH 10;Kutentha: 25 ° C	(1) ACD
Molar Solubility	0.013 mol / L	Madzi Osasunthika pH 8.08;Kutentha: 25 ° C	(1) ACD
Kulemera kwa Maselo	325.32
pKa	13.12±0.70	Kutentha Kwambiri kwa Acid: 25 ° C	(1) ACD
pKa	3.82±0.10	Kutentha Kwambiri Kwambiri: 25 °C	(1) ACD
Kuthamanga kwa Vapor	3.35 x 10-17 torr	Kutentha: 25 ° C	(1) ACD

Kuchulukana

Katundu	Mtengo	Mkhalidwe	Gwero
Kuchulukana	1.70±0.1 g/cm3	Kutentha: 20 ° C;Press: 760 Torr	(1) ACD
Molar Volume	191.2±7.0cm3/mol	Kutentha: 20 ° C;Press: 760 Torr	(1) ACD

Lipinski

Katundu	Mtengo	Mkhalidwe	Gwero
Ma Bond Osinthasintha Mwaulere	8		(1) ACD
H Olandira	10		(1) ACD
H Opereka	4		(1) ACD
H Chiwerengero cha Wopereka / Wolandira	14		(1) ACD
logP	0.462±0.647	Kutentha: 25 ° C	(1) ACD
Kulemera kwa Maselo	325.32

Zogwirizana ndi Kapangidwe

Katundu	Mtengo	Condition Source
Malo a Polar Surface	138 a2	(1) ACD

Katundu	Mtengo	Mkhalidwe	Gwero
Boiling Point	639.0±65.0 °C	Press: 760 Torr	(1) ACD
Enthalpy ya vaporization	99.17±3.0 kJ/mol	Press: 760 Torr	(1) ACD
Pophulikira	340.2±34.3 °C		(1) ACD