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]
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
Medicarpin 3-O-glucoside
MEDICARPIN-3-O-GLUCOSIDE

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

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

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