ChemSpider 2D Image | 2-Bromo-3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one | C18H15BrN5O6PS

2-Bromo-3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one

  • Molecular FormulaC18H15BrN5O6PS
  • Average mass540.284 Da
  • Monoisotopic mass538.966370 Da
  • ChemSpider ID22906304
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2-Brom-3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-on [German] [ACD/IUPAC Name]
2-Bromo-3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [ACD/IUPAC Name]
2-Bromo-3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxydo-2-sulfanyltétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phényl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [French] [ACD/IUPAC Name]
9H-Imidazo[1,2-a]purin-9-one, 2-bromo-3,4-dihydro-6-phenyl-3-[(2R,4aR,6R,7R,7aS)-tetrahydro-2,7-dihydroxy-2-sulfido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]- [ACD/Index Name]
172806-20-1 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 925.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.0±3.0 kJ/mol
Flash Point: 513.6±37.1 °C
Index of Refraction: 1.950
Molar Refractivity: 115.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 175 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 104.9±7.0 dyne/cm
Molar Volume: 239.7±7.0 cm3

Click to predict properties on the Chemicalize site






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