ChemSpider 2D Image | (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosphate | C20H25N10O8P

(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosphate

  • Molecular FormulaC20H25N10O8P
  • Average mass564.448 Da
  • Monoisotopic mass564.159424 Da
  • ChemSpider ID9072304

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen phosphate [ACD/IUPAC Name]
(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydro-3-furanyl-[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxyméthyl)tétrahydro-3-furanyle et de [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 987.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.8±3.0 kJ/mol
Flash Point: 551.1±37.1 °C
Index of Refraction: 1.938
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.49
ACD/LogD (pH 5.5): -5.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 264 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 122.4±7.0 dyne/cm
Molar Volume: 261.7±7.0 cm3

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