ChemSpider 2D Image | [(3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-(benzoyloxy)-4-hydroxytetrahydrofuran-2,2-diyl]bis(methylene) dibenzoate | C32H27N5O8

[(3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-(benzoyloxy)-4-hydroxytetrahydrofuran-2,2-diyl]bis(methylene) dibenzoate

  • Molecular FormulaC32H27N5O8
  • Average mass609.586 Da
  • Monoisotopic mass609.185974 Da
  • ChemSpider ID8184445

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-(benzoyloxy)-4-hydroxytetrahydrofuran-2,2-diyl]bis(methylene) dibenzoate [ACD/IUPAC Name]
[(3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3-(benzoyloxy)-4-hydroxytetrahydrofuran-2,2-diyl]dimethylen-dibenzoat [German] [ACD/IUPAC Name]
Dibenzoate de [(3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-(benzoyloxy)-4-hydroxytétrahydrofurane-2,2-diyl]diméthylène [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 834.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.6±37.1 °C
Index of Refraction: 1.688
Molar Refractivity: 159.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3458.26
ACD/KOC (pH 5.5): 11753.38
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3586.25
ACD/KOC (pH 7.4): 12188.37
Polar Surface Area: 178 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 417.6±7.0 cm3

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