ChemSpider 2D Image | 6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-7-hydroxy-2H-chromen-2-one | C14H16O5

6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-7-hydroxy-2H-chromen-2-one

  • Molecular FormulaC14H16O5
  • Average mass264.274 Da
  • Monoisotopic mass264.099762 Da
  • ChemSpider ID34965585
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy- [ACD/Index Name]
6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-7-hydroxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-7-hydroxy-2H-chromen-2-one [ACD/IUPAC Name]
6-[(2R)-2,3-Dihydroxy-3-méthylbutyl]-7-hydroxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
20516-23-8 [RN]
6-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2H-1-Benzopyran-2-one
6-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one
Peucedanol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 531.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 204.8±23.6 °C
Index of Refraction: 1.622
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 76.65
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.47
ACD/KOC (pH 7.4): 62.79
Polar Surface Area: 87 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 193.3±3.0 cm3

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