ChemSpider 2D Image | 6-[(2R,3S,4S)-3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl]-7-methoxy-2H-chromen-2-one | C15H14O7

6-[(2R,3S,4S)-3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl]-7-methoxy-2H-chromen-2-one

  • Molecular FormulaC15H14O7
  • Average mass306.267 Da
  • Monoisotopic mass306.073944 Da
  • ChemSpider ID107561948

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 7-methoxy-6-[(2R,3S,4S)-tetrahydro-3,4-dihydroxy-4-methyl-5-oxo-2-furanyl]- [ACD/Index Name]
6-[(2R,3S,4S)-3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl]-7-methoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-[(2R,3S,4S)-3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl]-7-methoxy-2H-chromen-2-one [ACD/IUPAC Name]
6-[(2R,3S,4S)-3,4-Dihydroxy-4-méthyl-5-oxotétrahydro-2-furanyl]-7-méthoxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
1623437-86-4 [RN]
6-[(2R,3S,4S)-3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl]-7-methoxychromen-2-one
Hydramicromelin D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 535.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 203.4±23.6 °C
Index of Refraction: 1.628
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.40
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.40
Polar Surface Area: 102 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 204.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement