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

Basic Information:

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Product Detail

Product Tags

Nyaya Yezvinhu

CAS Registry Nhamba

473278-54-5

Zvinhu Zvinokosha Zvemuviri	Value	Condition
Molecular Weight	341.32	-
Boiling Poindi (Yakafanotaurwa)	715.0±70.0 °C	Dhinda: 760 Torr
Density (zvakafanotaurwa)	1.81±0.1 g/cm3	Tembiricha: 20 °C; Dhinda: 760 Torr
pKa (Zvakafanotaurwa)	13.20±0.70	Yakanyanya Acid Temp: 25 °C

Mamwe Mazita Nezviziviso

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 Rimwe Zita reChinhu ichi

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

Properties iripo
Optical uye Kuparadzira
Thermal

Optical uye Scatering

Property	Value	Condition	Source
Optical Rotatory Power	-51 deg-mL/g-dm	c: 1.4 g/100ml; Solvent: Dichloromethane; λ: 589.3 nm; Tembiricha: 25 °C	(1) CAS
Optical Rotatory Power	Ona Rugwaro Rwakazara		(2) CAS

(1) Wen, Ke; Nyaya yeOrganic Chemistry, (2002), 67(22), 7887-7889, CAplus

(2) Wen, Ke; Nyaya yeOrganic Chemistry, (2002), 67(22), 7887-7889, CAplus

Thermal

Property	Value	Condition Source
Melting Point	Ona Rugwaro Rwakazara	(1) CAS

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

Experimental Spectra

Spectra iripo
1 H NMR
13 C NMR
IR

Predicted Properties

Properties iripo
Biological
Chemical
Density
Lipinski
Chimiro Chinoenderana
Thermal

Biological

Property	Value	Condition	Source
Bioconcentration Factor	1.0	pH 1; Tembiricha: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 2; Tembiricha: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 3; Tembiricha: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 4; Tembiricha: 25 °C	(1) ACD

Property	Value	Condition	Source
Bioconcentration Factor	1.0	pH 5; Tembiricha: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 6; Tembiricha: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 7; Tembiricha: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 8; Tembiricha: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 9; Tembiricha: 25 °C	(1) ACD
Bioconcentration Factor	1.0	pH 10; Tembiricha: 25 °C	(1) ACD

Chemical

Property	Value	Condition	Source
Koc	1.0	pH 1; Tembiricha: 25 °C	(1) ACD
Koc	1.0	pH 2; Tembiricha: 25 °C	(1) ACD
Koc	4.27	pH 3; Tembiricha: 25 °C	(1) ACD
Koc	8.49	pH 4; Tembiricha: 25 °C	(1) ACD
Koc	9.43	pH 5; Tembiricha: 25 °C	(1) ACD
Koc	9.54	pH 6; Tembiricha: 25 °C	(1) ACD
Koc	9.55	pH 7; Tembiricha: 25 °C	(1) ACD
Koc	9.55	pH 8; Tembiricha: 25 °C	(1) ACD
Koc	9.55	pH 9; Tembiricha: 25 °C	(1) ACD
Koc	9.54	pH 10; Tembiricha: 25 °C	(1) ACD
logD	-2.65	pH 1; Tembiricha: 25 °C	(1) ACD
logD	-1.84	pH 2; Tembiricha: 25 °C	(1) ACD
logD	-1.08	pH 3; Tembiricha: 25 °C	(1) ACD
logD	-0.78	pH 4; Tembiricha: 25 °C	(1) ACD
logD	-0.74	pH 5; Tembiricha: 25 °C	(1) ACD
logD	-0.73	pH 6; Tembiricha: 25 °C	(1) ACD
logD	-0.73	pH 7; Tembiricha: 25 °C	(1) ACD
logD	-0.73	pH 8; Tembiricha: 25 °C	(1) ACD
logD	-0.73	pH 9; Tembiricha: 25 °C	(1) ACD
logD	-0.73	pH 10; Tembiricha: 25 °C	(1) ACD
logP	-0.730±0.568	Tembiricha: 25 °C	(1) ACD
Mass Intrinsic Solubility	0.44 g/L	Tembiricha: 25 °C	(1) ACD
Mass Solubility	38 g/L	pH 1; Tembiricha: 25 °C	(1) ACD
Mass Solubility	5.5 g/L	pH 2; Tembiricha: 25 °C	(1) ACD

Property	Value	Condition	Source
Mass Solubility	0.96 g/L	pH 3; Tembiricha: 25 °C	(1) ACD
Mass Solubility	0.48 g/L	pH 4; Tembiricha: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 5; Tembiricha: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 6; Tembiricha: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 7; Tembiricha: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 8; Tembiricha: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 9; Tembiricha: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 10; Tembiricha: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	Unbuffered Mvura pH 7.20; Tembiricha: 25 °C	(1) ACD
Molar Intrinsic Solubility	1.3 x 10-3 mol/L	Tembiricha: 25 °C	(1) ACD
Molar Solubility	0.11 mol/L	pH 1; Tembiricha: 25 °C	(1) ACD
Molar Solubility	0.016 mol/L	pH 2; Tembiricha: 25 °C	(1) ACD
Molar Solubility	2.8 x 10-3 mol/L	pH 3; Tembiricha: 25 °C	(1) ACD
Molar Solubility	1.4 x 10-3 mol/L	pH 4; Tembiricha: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 5; Tembiricha: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 6; Tembiricha: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 7; Tembiricha: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 8; Tembiricha: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 9; Tembiricha: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 10; Tembiricha: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	Unbuffered Mvura pH 7.20; Tembiricha: 25 °C	(1) ACD
Molecular Weight	341.32
pKa	13.20±0.70	Yakanyanya Acid Temp: 25 °C	(1) ACD
pKa	3.00±0.20	Yakanyanya Kunyanya Kudziya: 25 °C	(1) ACD
Vapor Pressure	1.86 x 10-21 Torr	Tembiricha: 25 °C	(1) ACD

Density

Property	Value	Condition	Source
Density	1.81±0.1 g/cm3	Tembiricha: 20 °C; Dhinda: 760 Torr	(1) ACD
Molar Volume	188.5±7.0 cm3/mol	Tembiricha: 20 °C; Dhinda: 760 Torr	(1) ACD

Lipinski

Property	Value	Condition	Source
Zvakasununguka Zvisungo Zvinotenderera	8		(1) ACD
H Vagamuchiri	11		(1) ACD
H Vanopa	5		(1) ACD
H Donor/Acceptor Sum	16		(1) ACD
logP	-0.730±0.568	Tembiricha: 25 °C	(1) ACD
Molecular Weight	341.32

Chimiro Chinoenderana

Property	Value	Condition Source
Nzvimbo yePolar Surface	153 A2	(1) ACD

Thermal

Property	Value	Condition	Source
Boiling Point	715.0±70.0 °C	Dhinda: 760 Torr	(1) ACD
Enthalpy yeVaporization	109.72±3.0 kJ/mol	Dhinda: 760 Torr	(1) ACD
Flash Point	386.2±35.7 °C		(1) ACD