ChemSpider 2D Image | 7-Methoxy-6-[(1S,2R)-1,2,3-trihydroxy-3-methylbutyl]-2H-chromen-2-one | C15H18O6

7-Methoxy-6-[(1S,2R)-1,2,3-trihydroxy-3-methylbutyl]-2H-chromen-2-one

  • Molecular FormulaC15H18O6
  • Average mass294.300 Da
  • Monoisotopic mass294.110352 Da
  • ChemSpider ID26358814
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 7-methoxy-6-[(1S,2R)-1,2,3-trihydroxy-3-methylbutyl]- [ACD/Index Name]
7-Methoxy-6-[(1S,2R)-1,2,3-trihydroxy-3-methylbutyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-Methoxy-6-[(1S,2R)-1,2,3-trihydroxy-3-methylbutyl]-2H-chromen-2-one [ACD/IUPAC Name]
7-Méthoxy-6-[(1S,2R)-1,2,3-trihydroxy-3-méthylbutyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 206.4±23.6 °C
Index of Refraction: 1.601
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 39.17
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 39.17
Polar Surface Area: 96 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 217.1±3.0 cm3

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