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

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Product Detail

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CAS Registry Number

473278-54-5

Cov khoom tseem ceeb ntawm lub cev	Tus nqi	Qhov xwm txheej
Molecular Luj	341.32 ib	-
Boiling Point (Predicted)	715.0 ± 70.0 ° C	Xov: 760 Torr
Density (Tswv Ntuj)	1.81 ± 0.1g / cm3	Kub: 20 ° C; Xov: 760 Torr
pKa (Predicted)	13.20 ± 0.70	Feem ntau acidic kub: 25 ° C

Lwm Lub Npe thiab Tus Kheej

Canonical 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 Lwm Lub Npe rau Cov Khoom no

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

Cov khoom muaj
Optical thiab Scattering
Kub

Optical thiab Scatering

Khoom	Tus nqi	Qhov xwm txheej	Qhov chaw
Optical Rotatory zog	-51 deg-mL/g-dm	c: 1.4 g / 100 ml; Cov kuab tshuaj: Dichloromethane; 589.3nm ;ua. Kub: 25 ° C	(1) CAS
Optical Rotatory zog	Saib Daim Ntawv Qhia Tag Nrho		(2) CAS

(1) Wen, Ke; Phau ntawv Journal of Organic Chemistry, (2002), 67(22), 7887-7889, CAplus

(2) Wen, Ke; Phau ntawv Journal of Organic Chemistry, (2002), 67(22), 7887-7889, CAplus

Kub

Khoom	Tus nqi	Cov xwm txheej Source
Melting Point	Saib Daim Ntawv Qhia Tag Nrho	(1) CAS

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

Kev sim Spectra

Spectra muaj
1 H NMR
13 C NMR
IR

Huab Cua Huab Cua

Cov khoom muaj
Tshuaj lom neeg
Tshuaj
Qhov ntom
Lipinski
Cov qauv ntsig txog
Kub

Tshuaj lom neeg

Khoom	Tus nqi	Qhov xwm txheej	Qhov chaw
Bioconcentration Factor	1.0	pH 1; Kub: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 2; Kub: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 3; Kub: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 4; Kub: 25 ° C	(1) ACD

Khoom	Tus nqi	Qhov xwm txheej	Qhov chaw
Bioconcentration Factor	1.0	pH 5; Kub: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 6; Kub: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 7; Kub: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 8; Kub: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 9; Kub: 25 ° C	(1) ACD
Bioconcentration Factor	1.0	pH 10; Kub: 25 ° C	(1) ACD

Tshuaj

Khoom	Tus nqi	Qhov xwm txheej	Qhov chaw
Koc	1.0	pH 1; Kub: 25 ° C	(1) ACD
Koc	1.0	pH 2; Kub: 25 ° C	(1) ACD
Koc	4.27 ib	pH 3; Kub: 25 ° C	(1) ACD
Koc	8.49 ib	pH 4; Kub: 25 ° C	(1) ACD
Koc	9.43 ib	pH 5; Kub: 25 ° C	(1) ACD
Koc	9.54 ib	pH 6; Kub: 25 ° C	(1) ACD
Koc	9.55 ib	pH 7; Kub: 25 ° C	(1) ACD
Koc	9.55 ib	pH 8; Kub: 25 ° C	(1) ACD
Koc	9.55 ib	pH 9; Kub: 25 ° C	(1) ACD
Koc	9.54 ib	pH 10; Kub: 25 ° C	(1) ACD
logD	- 2.65	pH 1; Kub: 25 ° C	(1) ACD
logD	-1.84 Nws	pH 2; Kub: 25 ° C	(1) ACD
logD	-1.08 Nws	pH 3; Kub: 25 ° C	(1) ACD
logD	-0.78 Nws	pH 4; Kub: 25 ° C	(1) ACD
logD	-0.74 Nws	pH 5; Kub: 25 ° C	(1) ACD
logD	-0.73	pH 6; Kub: 25 ° C	(1) ACD
logD	-0.73	pH 7; Kub: 25 ° C	(1) ACD
logD	-0.73	pH 8; Kub: 25 ° C	(1) ACD
logD	-0.73	pH 9; Kub: 25 ° C	(1) ACD
logD	-0.73	pH 10; Kub: 25 ° C	(1) ACD
logP	-0.730 ± 0.568	Kub: 25 ° C	(1) ACD
Mass Intrinsic Solubility	0.44 g / L	Kub: 25 ° C	(1) ACD
Loj Solubility	38 g / L	pH 1; Kub: 25 ° C	(1) ACD
Loj Solubility	5.5 g / L	pH 2; Kub: 25 ° C	(1) ACD

Khoom	Tus nqi	Qhov xwm txheej	Qhov chaw
Loj Solubility	0.96 g / L	pH 3; Kub: 25 ° C	(1) ACD
Loj Solubility	0.48 g / L	pH 4; Kub: 25 ° C	(1) ACD
Loj Solubility	0.44 g / L	pH 5; Kub: 25 ° C	(1) ACD
Loj Solubility	0.44 g / L	pH 6; Kub: 25 ° C	(1) ACD
Loj Solubility	0.44 g / L	pH 7; Kub: 25 ° C	(1) ACD
Loj Solubility	0.44 g / L	pH 8; Kub: 25 ° C	(1) ACD
Loj Solubility	0.44 g / L	pH 9; Kub: 25 ° C	(1) ACD
Loj Solubility	0.44 g / L	pH 10; Kub: 25 ° C	(1) ACD
Loj Solubility	0.44 g / L	Unbuffered Dej pH 7.20; Kub: 25 ° C	(1) ACD
Molar Intrinsic Solubility	1.3 x 10-3 mol / L	Kub: 25 ° C	(1) ACD
Molar Solubility	0.11 mol / L	pH 1; Kub: 25 ° C	(1) ACD
Molar Solubility	0.016 mol / L	pH 2; Kub: 25 ° C	(1) ACD
Molar Solubility	2.8 x 10-3 mol / L	pH 3; Kub: 25 ° C	(1) ACD
Molar Solubility	1.4 x 10-3 mol / L	pH 4; Kub: 25 ° C	(1) ACD
Molar Solubility	1.3 x 10-3 mol / L	pH 5; Kub: 25 ° C	(1) ACD
Molar Solubility	1.3 x 10-3 mol / L	pH 6; Kub: 25 ° C	(1) ACD
Molar Solubility	1.3 x 10-3 mol / L	pH 7; Kub: 25 ° C	(1) ACD
Molar Solubility	1.3 x 10-3 mol / L	pH 8; Kub: 25 ° C	(1) ACD
Molar Solubility	1.3 x 10-3 mol / L	pH 9; Kub: 25 ° C	(1) ACD
Molar Solubility	1.3 x 10-3 mol / L	pH 10; Kub: 25 ° C	(1) ACD
Molar Solubility	1.3 x 10-3 mol / L	Unbuffered Dej pH 7.20; Kub: 25 ° C	(1) ACD
Molecular Luj	341.32 ib
pKa	13.20 ± 0.70	Feem ntau acidic kub: 25 ° C	(1) ACD
pKa	3.00 ± 0.20	Qhov kub thiab txias tshaj plaws: 25 ° C	(1) ACD
Vapor Siab	1.86 x 10-21 Torr	Kub: 25 ° C	(1) ACD

Qhov ntom

Khoom	Tus nqi	Qhov xwm txheej	Qhov chaw
Qhov ntom	1.81 ± 0.1g / cm3	Kub: 20 ° C; Xov: 760 Torr	(1) ACD
Molar Volume	188.5 ± 7.0 cm3 / mol	Kub: 20 ° C; Xov: 760 Torr	(1) ACD

Lipinski

Khoom	Tus nqi	Qhov xwm txheej	Qhov chaw
Dawb Rotatable Bonds	8		(1) ACD
H Txais	11		(1) ACD
H Pub	5		(1) ACD
H Pub/Acceptor Sum	16		(1) ACD
logP	-0.730 ± 0.568	Kub: 25 ° C	(1) ACD
Molecular Luj	341.32 ib

Cov qauv ntsig txog

Khoom	Tus nqi	Cov xwm txheej Source
Polar Surface Area	153 A 2	(1) ACD

Kub

Khoom	Tus nqi	Qhov xwm txheej	Qhov chaw
Boiling Point	715.0 ± 70.0 ° C	Xov: 760 Torr	(1) ACD
Enthalpy ntawm Vaporization	109.72 ± 3.0 kJ/mol	Xov: 760 Torr	(1) ACD
Flash Point	386.2 ± 35.7 ° C		(1) ACD