ChemSpider 2D Image | Medicarpin 3-O-glucoside-6'-malonate | C25H26O12

Medicarpin 3-O-glucoside-6'-malonate

  • Molecular FormulaC25H26O12
  • Average mass518.467 Da
  • Monoisotopic mass518.142456 Da
  • ChemSpider ID24022786
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(6aR,11aR)-9-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(6aR,11aR)-9-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de (6aR,11aR)-9-méthoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromén-3-yle [French] [ACD/IUPAC Name]
Medicarpin 3-O-glucoside-6'-malonate
β-D-Glucopyranoside, (6aR,11aR)-6a,11a-dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3-yl, 6-(2-carboxyacetate) [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 742.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 252.3±26.4 °C
Index of Refraction: 1.631
Molar Refractivity: 122.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 343.6±3.0 cm3

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