ChemSpider 2D Image | Methyl 2-{[{[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate | C20H25N6O8P

Methyl 2-{[{[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate

  • Molecular FormulaC20H25N6O8P
  • Average mass508.422 Da
  • Monoisotopic mass508.147156 Da
  • ChemSpider ID8544431

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

2-{[{[(2R,3S,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-{[{[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate [ACD/IUPAC Name]
Methyl-2-{[{[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 749.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 407.2±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 118.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 50.22
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 52.01
Polar Surface Area: 203 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 75.2±7.0 dyne/cm
Molar Volume: 300.3±7.0 cm3

Click to predict properties on the Chemicalize site


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