ChemSpider 2D Image | Glyceollin IV | C21H22O5

Glyceollin IV

  • Molecular FormulaC21H22O5
  • Average mass354.396 Da
  • Monoisotopic mass354.146729 Da
  • ChemSpider ID58827462

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aS,11aS)-3-Methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6a,9(11aH)-diol [German] [ACD/IUPAC Name]
(6aS,11aS)-3-Methoxy-2-(3-methyl-2-buten-1-yl)-6H-[1]benzofuro[3,2-c]chromene-6a,9(11aH)-diol [ACD/IUPAC Name]
(6aS,11aS)-3-Méthoxy-2-(3-méthyl-2-butén-1-yl)-6H-[1]benzofuro[3,2-c]chromène-6a,9(11aH)-diol [French] [ACD/IUPAC Name]
69393-94-8 [RN]
6H-Benzofuro[3,2-c][1]benzopyran-6a,9(11aH)-diol, 3-methoxy-2-(3-methyl-2-buten-1-yl)-, (6aS,11aS)- [ACD/Index Name]
Glyceollin IV
(6aS,11aS)-3-methoxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6a,9(11aH)-diol
6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan

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

Density: 1.3±0.1 g/cm3
Boiling Point: 523.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.3±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 332.54
ACD/KOC (pH 5.5): 2221.91
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 329.50
ACD/KOC (pH 7.4): 2201.62
Polar Surface Area: 68 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 272.3±3.0 cm3

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