ChemSpider 2D Image | (S,R)-warfarin alcohol | C19H18O4

(S,R)-warfarin alcohol

  • Molecular FormulaC19H18O4
  • Average mass310.344 Da
  • Monoisotopic mass310.120514 Da
  • ChemSpider ID25059172

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(S,R)-warfarin alcohol
2H-1-Benzopyran-2-one, 4-hydroxy-3-[(1S,3R)-3-hydroxy-1-phenylbutyl]- [ACD/Index Name]
40281-79-6 [RN]
4-Hydroxy-3-[(1S,3R)-3-hydroxy-1-phenylbutyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(1S,3R)-3-hydroxy-1-phenylbutyl]-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-[(1S,3R)-3-hydroxy-1-phénylbutyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-HYDROXY-3-[(1S,3S)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE [ACD/IUPAC Name]
S,R-Warfarin alcohol
WARFARIN ALCOHOL, (S,R)-

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

62GD2Z2LXM [DBID]
UNII:62GD2Z2LXM [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 197.8±23.6 °C
Index of Refraction: 1.647
Molar Refractivity: 85.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 12.57
ACD/KOC (pH 5.5): 107.87
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.86
Polar Surface Area: 67 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 236.5±3.0 cm3

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