C13H19N5O6 Guanosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)

Basic Information:

Mitte ad nos inscriptio

Product Detail

Product Tags

Substantia Detail

CAS Subcriptio Number

473278-54-5

Key Physical Properties	Precium	Conditio
M. Pondus	341.32	-
Fervens (Predicted)	715.0±70.0 °C	Press: 760 Torr
Densitas (Predicted)	1.81±0.1 g/cm3	Temp: 20 °C; Press: 760 Torr
pKa (Predicta)	13.20±0.70	Most acidic Temp: 25 °C

Alia nomina et Identifiers

CANONICI SMILES

O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC

Isomeric SMILES

O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C( N)N3

InChI'

InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13( 14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3, 14,16,17,21)/t6-,8-,9- ,12-/m1/s1

InChI Key

DLLBJSLIKOKFHE-WOUKDFQISA-N

1 Alii nomen huic substantiae

2′ -O-(2-Methoxyethyl) guanosine (ACI)

Properties praesto
Optical et Dispergat
Scelerisque

Optical et Scatering

Property	Precium	Conditio	Source
Optical Rotatory Power	-51 deg-mL/g-dm	c: 1.4 g/100ml; Solvendo: Dichloromethane; λ: 589.3 um; Temp: 25 °C	(1) CAS
Optical Rotatory Power	Vide Full Text		(2) CAS

(1) Wen, Ke; Acta Chemiae Organicae, (2002), 67(22), 7887-7889, CAplus

(2) Wen, Ke; Acta Chemiae Organicae, (2002), 67(22), 7887-7889, CAplus

Scelerisque

Property	Precium	Conditio Source
Liquefactio Point	Vide Full Text	(1) CAS

(1) Taj, Shabbir Ali S.; Nucleosides, Nucleotides & Nucleic Acides, (2008), 27(9), 1024-1033, CAplus

Spectra Experimentalis

Spectra praesto
1 H NMR
13 C NMR
IR

Praedicta Properties

Properties praesto
Biological
Chemical
Densitas
Lipinski
Structure Related
Scelerisque

Biological

Property	Precium	Conditio	Source
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

Property	Precium	Conditio	Source
Bioconcentration Factor	1.0	pH 5; Temp: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 6; Temp: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 7; Temp: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 8; Temp: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 9; Temp: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 10; Temp: 25 °C	(1) ACD

Chemical

Property	Precium	Conditio	Source
Koc	1.0	pH 1; Temp: 25 °C	(1) ACD
Koc	1.0	pH 2; Temp: 25 °C	(1) ACD
Koc	4.27	pH 3; Temp: 25 °C	(1) ACD
Koc	8.49	pH 4; Temp: 25 °C	(1) ACD
Koc	9.43	pH 5; Temp: 25 °C	(1) ACD
Koc	9.54	pH 6; Temp: 25 °C	(1) ACD
Koc	9.55	pH 7; Temp: 25 °C	(1) ACD
Koc	9.55	pH 8; Temp: 25 °C	(1) ACD
Koc	9.55	pH 9; Temp: 25 °C	(1) ACD
Koc	9.54	pH 10; Temp: 25 °C	(1) ACD
logD	-2.65	pH 1; Temp: 25 °C	(1) ACD
logD	-1.84	pH 2; Temp: 25 °C	(1) ACD
logD	-1.08	pH 3; Temp: 25 °C	(1) ACD
logD	-0.78	pH 4; Temp: 25 °C	(1) ACD
logD	-0.74	pH 5; Temp: 25 °C	(1) ACD
logD	-0.73	pH 6; Temp: 25 °C	(1) ACD
logD	-0.73	pH 7; Temp: 25 °C	(1) ACD
logD	-0.73	pH 8; Temp: 25 °C	(1) ACD
logD	-0.73	pH 9; Temp: 25 °C	(1) ACD
logD	-0.73	pH 10; Temp: 25 °C	(1) ACD
logP	-0.730±0.568	Temp: 25 °C	(1) ACD
Missa Solubilitas intrinseca	0.44 g/L	Temp: 25 °C	(1) ACD
Missa Solubilitas	38 g/L	pH 1; Temp: 25 °C	(1) ACD
Missa Solubilitas	5.5 g/L	pH 2; Temp: 25 °C	(1) ACD

Property	Precium	Conditio	Source
Missa Solubilitas	0.96 g/L	pH 3; Temp: 25 °C	(1) ACD
Missa Solubilitas	0.48 g/L	pH 4; Temp: 25 °C	(1) ACD
Missa Solubilitas	0.44 g/L	pH 5; Temp: 25 °C	(1) ACD
Missa Solubilitas	0.44 g/L	pH 6; Temp: 25 °C	(1) ACD
Missa Solubilitas	0.44 g/L	pH 7; Temp: 25 °C	(1) ACD
Missa Solubilitas	0.44 g/L	pH 8; Temp: 25 °C	(1) ACD
Missa Solubilitas	0.44 g/L	pH 9; Temp: 25 °C	(1) ACD
Missa Solubilitas	0.44 g/L	pH 10; Temp: 25 °C	(1) ACD
Missa Solubilitas	0.44 g/L	Aquam impuberam pH 7.20; Temp: 25 °C	(1) ACD
Molares Intrinsicas Solubility	1.3 x 10-3 mol/L	Temp: 25 °C	(1) ACD
Molares Solubility	0.11 mol/L	pH 1; Temp: 25 °C	(1) ACD
Molares Solubility	0.016 mol/L	pH 2; Temp: 25 °C	(1) ACD
Molares Solubility	2.8 x 10-3 mol/L	pH 3; Temp: 25 °C	(1) ACD
Molares Solubility	1.4 x 10-3 mol/L	pH 4; Temp: 25 °C	(1) ACD
Molares Solubility	1.3 x 10-3 mol/L	pH 5; Temp: 25 °C	(1) ACD
Molares Solubility	1.3 x 10-3 mol/L	pH 6; Temp: 25 °C	(1) ACD
Molares Solubility	1.3 x 10-3 mol/L	pH 7; Temp: 25 °C	(1) ACD
Molares Solubility	1.3 x 10-3 mol/L	pH 8; Temp: 25 °C	(1) ACD
Molares Solubility	1.3 x 10-3 mol/L	pH 9; Temp: 25 °C	(1) ACD
Molares Solubility	1.3 x 10-3 mol/L	pH 10; Temp: 25 °C	(1) ACD
Molares Solubility	1.3 x 10-3 mol/L	Aquam impuberam pH 7.20; Temp: 25 °C	(1) ACD
M. Pondus	341.32
pKa	13.20±0.70	Most acidic Temp: 25 °C	(1) ACD
pKa	3.00±0.20	Most Basic Temp: 25 °C	(1) ACD
Vapor Pressura	1.86 x 10-21 Torr	Temp: 25 °C	(1) ACD

Densitas

Property	Precium	Conditio	Source
Densitas	1.81±0.1 g/cm3	Temp: 20 °C; Press: 760 Torr	(1) ACD
Molar Volume	188.5±7.0 cm3/mol	Temp: 20 °C; Press: 760 Torr	(1) ACD

Lipinski

Property	Precium	Conditio	Source
Sponte rotatable vincula	8		(1) ACD
H. Acceptores	11		(1) ACD
H Donors	5		(1) ACD
H Donor/Acceptor Sum	16		(1) ACD
logP	-0.730±0.568	Temp: 25 °C	(1) ACD
M. Pondus	341.32

Structure Related

Property	Precium	Conditio Source
Superficies Polar Area	153 A2	(1) ACD

Scelerisque

Property	Precium	Conditio	Source
fervens	715.0±70.0 °C	Press: 760 Torr	(1) ACD
Enthalpy of Vaporization	109.72±3.0 kJ/mol	Press: 760 Torr	(1) ACD
Flash Point	386.2±35.7 °C		(1) ACD