ChemSpider 2D Image | Bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} hydrogen phosphate | C20H25N10O12P

Bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} hydrogen phosphate

  • Molecular FormulaC20H25N10O12P
  • Average mass628.446 Da
  • Monoisotopic mass628.139099 Da
  • ChemSpider ID168000
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

Bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} hydrogen phosphate [ACD/IUPAC Name]
Bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}hydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle} [French] [ACD/IUPAC Name]
22886-44-8 [RN]
Guanosine, guanylyl-(2'-5')-
Guanylyl 2'-5' guanosine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.5±0.1 g/cm3
Boiling Point: 1202.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 186.8±3.0 kJ/mol
Flash Point: 680.9±37.1 °C
Index of Refraction: 2.042
Molar Refractivity: 128.7±0.5 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -6.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 336 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 161.4±7.0 dyne/cm
Molar Volume: 250.6±7.0 cm3

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