ChemSpider 2D Image | Methyl (2R,3R)-3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2,3-dihydro-4H-furo[2,3-b]chromene-3-carboxylate | C16H16O8

Methyl (2R,3R)-3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2,3-dihydro-4H-furo[2,3-b]chromene-3-carboxylate

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID24671126

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-3,5-Dihydroxy-2-(2-hydroxyéthyl)-7-méthyl-4-oxo-2,3-dihydro-4H-furo[2,3-b]chromène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
4H-Furo[2,3-b][1]benzopyran-3-carboxylic acid, 2,3-dihydro-3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-, methyl ester, (2R,3R)- [ACD/Index Name]
Methyl (2R,3R)-3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2,3-dihydro-4H-furo[2,3-b]chromene-3-carboxylate [ACD/IUPAC Name]
Methyl-(2R,3R)-3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2,3-dihydro-4H-furo[2,3-b]chromen-3-carboxylat [German] [ACD/IUPAC Name]
CONIOFUROL A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 547.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 203.4±23.6 °C
Index of Refraction: 1.655
Molar Refractivity: 78.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.81
ACD/KOC (pH 5.5): 227.18
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 7.27
ACD/KOC (pH 7.4): 119.57
Polar Surface Area: 123 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 213.9±5.0 cm3

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