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

Fampahafantarana fototra:

Alefaso mailaka aminay

Product Detail

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Tsipirian'ny akora

CAS rejistra laharana

168427-74-5

Toetra ara-batana fototra	sarobidy	toe-javatra
Lanja molekiola	325.32	-
Teboka mangotraka (voavinavina)	639,0±65,0 °C	Press: 760 Torr
Density (voavinavina)	1,70±0,1 g/cm3	Mafana: 20 °C; Press: 760 Torr
pKa (voavinavina)	13.12±0.70	Mafana asidra indrindra: 25 °C

Anarana sy famantarana hafa

Canonical SMILES

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

SMILES Isomerique

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 Anarana hafa amin'ity akora ity

2′-O-(2-Methoxyethyl)adenosine (ACI)

Spectra misy
1 H NMR
13 C NMR

Properties vinavinaina

Properties misy
niteraka
simika
hakitroky
Lipinski
Structure Related
mafana

niteraka

NY FANANANA	sarobidy	toe-javatra	Source
Bioconcentration Factor	1.0	pH 1; Mafana: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 2; Mafana: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 3; Mafana: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 4; Mafana: 25 °C	(1) ACD
Bioconcentration Factor	1.18	pH 5; Mafana: 25 °C	(1) ACD
Bioconcentration Factor	1.31	pH 6; Mafana: 25 °C	(1) ACD
Bioconcentration Factor	1.32	pH 7; Mafana: 25 °C	(1) ACD
Bioconcentration Factor	1.32	pH 8; Mafana: 25 °C	(1) ACD
Bioconcentration Factor	1.32	pH 9; Mafana: 25 °C	(1) ACD
Bioconcentration Factor	1.32	pH 10; Mafana: 25 °C	(1) ACD

simika

NY FANANANA	sarobidy	toe-javatra	Source
Koc	1.0	pH 1; Mafana: 25 °C	(1) ACD
Koc	1.0	pH 2; Mafana: 25 °C	(1) ACD
Koc	3.39	pH 3; Mafana: 25 °C	(1) ACD
Koc	19.4	pH 4; Mafana: 25 °C	(1) ACD
Koc	38.0	pH 5; Mafana: 25 °C	(1) ACD
Koc	42.0	pH 6; Mafana: 25 °C	(1) ACD
Koc	42.5	pH 7; Mafana: 25 °C	(1) ACD

NY FANANANA	sarobidy	toe-javatra	Source
Koc	42.5	pH 8; Mafana: 25 °C	(1) ACD
Koc	42.5	pH 9; Mafana: 25 °C	(1) ACD
Koc	42.5	pH 10; Mafana: 25 °C	(1) ACD
logD	-1.94	pH 1; Mafana: 25 °C	(1) ACD
logD	-1.48	pH 2; Mafana: 25 °C	(1) ACD
logD	-0.64	pH 3; Mafana: 25 °C	(1) ACD
logD	0.12	pH 4; Mafana: 25 °C	(1) ACD
logD	0.41	pH 5; Mafana: 25 °C	(1) ACD
logD	0.46	pH 6; Mafana: 25 °C	(1) ACD
logD	0.46	pH 7; Mafana: 25 °C	(1) ACD
logD	0.46	pH 8; Mafana: 25 °C	(1) ACD
logD	0.46	pH 9; Mafana: 25 °C	(1) ACD
logD	0.46	pH 10; Mafana: 25 °C	(1) ACD
logP	0,462±0,647	Mafana: 25 °C	(1) ACD
Faobe Intrinsic Solubility	4,2 g/L	Mafana: 25 °C	(1) ACD
Mass Solubility	999 g/L	pH 1; Mafana: 25 °C	(1) ACD
Mass Solubility	381 g/L	pH 2; Mafana: 25 °C	(1) ACD
Mass Solubility	55 g/L	pH 3; Mafana: 25 °C	(1) ACD
Mass Solubility	9,4 g/L	pH 4; Mafana: 25 °C	(1) ACD
Mass Solubility	4,9 g/L	pH 5; Mafana: 25 °C	(1) ACD
Mass Solubility	4,2 g/L	pH 6; Mafana: 25 °C	(1) ACD
Mass Solubility	4,2 g/L	pH 7; Mafana: 25 °C	(1) ACD
Mass Solubility	4,2 g/L	pH 8; Mafana: 25 °C	(1) ACD
Mass Solubility	4,2 g/L	pH 9; Mafana: 25 °C	(1) ACD
Mass Solubility	4,2 g/L	pH 10; Mafana: 25 °C	(1) ACD
Mass Solubility	4,2 g/L	Rano tsy misy fangarony pH 8.08; Mafana: 25 °C	(1) ACD
Molar intrinsic solubility	0,013 mol/L	Mafana: 25 °C	(1) ACD
Molar Solubility	3,07 mol/L	pH 1; Mafana: 25 °C	(1) ACD
Molar Solubility	1,17 mol/L	pH 2; Mafana: 25 °C	(1) ACD
Molar Solubility	0,17 mol/L	pH 3; Mafana: 25 °C	(1) ACD
Molar Solubility	0,029 mol/L	pH 4; Mafana: 25 °C	(1) ACD
Molar Solubility	0,015 mol/L	pH 5; Mafana: 25 °C	(1) ACD

NY FANANANA	sarobidy	toe-javatra	Source
Molar Solubility	0,013 mol/L	pH 6; Mafana: 25 °C	(1) ACD
Molar Solubility	0,013 mol/L	pH 7; Mafana: 25 °C	(1) ACD
Molar Solubility	0,013 mol/L	pH 8; Mafana: 25 °C	(1) ACD
Molar Solubility	0,013 mol/L	pH 9; Mafana: 25 °C	(1) ACD
Molar Solubility	0,013 mol/L	pH 10; Mafana: 25 °C	(1) ACD
Molar Solubility	0,013 mol/L	Rano tsy misy fangarony pH 8.08; Mafana: 25 °C	(1) ACD
Lanja molekiola	325.32
pKa	13.12±0.70	Mafana asidra indrindra: 25 °C	(1) ACD
pKa	3.82±0.10	Ny mari-pana fototra indrindra: 25 °C	(1) ACD
Fanerena ny etona	3.35 x 10-17 Torr	Mafana: 25 °C	(1) ACD

hakitroky

NY FANANANA	sarobidy	toe-javatra	Source
hakitroky	1,70±0,1 g/cm3	Mafana: 20 °C; Press: 760 Torr	(1) ACD
Boky molar	191.2±7.0 cm3/mol	Mafana: 20 °C; Press: 760 Torr	(1) ACD

Lipinski

NY FANANANA	sarobidy	toe-javatra	Source
Fatorana azo ahodina malalaka	8		(1) ACD
H Acceptors	10		(1) ACD
H Mpanome	4		(1) ACD
H Donor/Acceptor Sum	14		(1) ACD
logP	0,462±0,647	Mafana: 25 °C	(1) ACD
Lanja molekiola	325.32

Structure Related

NY FANANANA	sarobidy	Loharanon'ny toe-javatra
Faritra ambonin'ny polar	138 A2	(1) ACD

NY FANANANA	sarobidy	toe-javatra	Source
Teboka mangotraka	639,0±65,0 °C	Press: 760 Torr	(1) ACD
Enthalpy de evaporation	99,17±3,0 kJ/mol	Press: 760 Torr	(1) ACD
Flash point	340,2±34,3 °C		(1) ACD