ChemSpider 2D Image | (-)-Medicocarpin | C22H24O9

(-)-Medicocarpin

  • Molecular FormulaC22H24O9
  • Average mass432.421 Da
  • Monoisotopic mass432.142029 Da
  • ChemSpider ID21468816

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(-)-Medicocarpin
(6aR,11aR)-9-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(6aR,11aR)-9-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
52766-70-8 [RN]
Medicarpin 3-O-glucoside
β-D-Glucopyranoside de (6aR,11aR)-9-méthoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromén-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (6aR,11aR)-6a,11a-dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3-yl [ACD/Index Name]
(-)-medicarpin-3-O-glucoside
(-)-medicarpin-3-O-glucoside
7-demethoxy-7-D-(glucosyloxy)-homopterocarpin
More...
  • Miscellaneous

    • Compound Source:

      Cicer arietinum PlantCyc CPD-4122
      Glycine max PlantCyc CPD-4122
      Linum usitatissimum PlantCyc CPD-4122
      medicarpin conjugates interconversion PlantCyc CPD-4122

    • Bio Activity:

      (-)-medicarpin-3-O-glucoside + H2O -> (-)-medicarpin + D-glucopyranose PlantCyc CPD-4122
      (-)-medicarpin-3-O-glucoside + malonyl-CoA -> (-)-medicarpin-3-O-glucoside-6''-malonate + coenzyme A PlantCyc CPD-4122
      (-)-medicarpin-3-O-glucoside-6''-malonate + H2O -> malonate + (-)-medicarpin-3-O-glucoside + H+ PlantCyc CPD-4122
      UDP-alpha-D-glucose + (-)-medicarpin -> (-)-medicarpin-3-O-glucoside + UDP + H+ PlantCyc CPD-4122

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

Density: 1.5±0.1 g/cm3
Boiling Point: 642.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.4±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.65
ACD/KOC (pH 5.5): 69.86
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 69.86
Polar Surface Area: 127 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 293.5±3.0 cm3

Click to predict properties on the Chemicalize site


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