ChemSpider 2D Image | 5'-O-[{[{[(2R,3R,4R,5S)-3,4-Dihydroxy-5-methyl-2-pyrrolidinyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine | C16H26N6O13P2

5'-O-[{[{[(2R,3R,4R,5S)-3,4-Dihydroxy-5-methyl-2-pyrrolidinyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine

  • Molecular FormulaC16H26N6O13P2
  • Average mass572.358 Da
  • Monoisotopic mass572.103333 Da
  • ChemSpider ID8432949

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

364606-66-6 [RN]
5'-O-[{[{[(2R,3R,4R,5S)-3,4-Dihydroxy-5-methyl-2-pyrrolidinyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosin [German] [ACD/IUPAC Name]
5'-O-[{[{[(2R,3R,4R,5S)-3,4-Dihydroxy-5-methyl-2-pyrrolidinyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [ACD/IUPAC Name]
5'-O-[{[{[(2R,3R,4R,5S)-3,4-Dihydroxy-5-méthyl-2-pyrrolidinyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [French] [ACD/IUPAC Name]
Guanosine, 5'-O-[[[[[(2R,3R,4R,5S)-3,4-dihydroxy-5-methyl-2-pyrrolidinyl]methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
(2R,3R,4R,5S)-2-({[({[(2R,3S,4R,5R)-5-(2-azaniumyl-6-hydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}methyl)-3,4-dihydroxy-5-methylpyrrolidin-1-ium
CHEMBL52741
GDP-Azasugar analogue

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.3±0.1 g/cm3
Boiling Point: 974.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.8±3.0 kJ/mol
Flash Point: 543.3±37.1 °C
Index of Refraction: 1.873
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.98
ACD/LogD (pH 5.5): -7.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 140.2±7.0 dyne/cm
Molar Volume: 243.5±7.0 cm3

Click to predict properties on the Chemicalize site


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