ChemSpider 2D Image | Gnetoflavanol A | C30H26O9

Gnetoflavanol A

  • Molecular FormulaC30H26O9
  • Average mass530.522 Da
  • Monoisotopic mass530.157654 Da
  • ChemSpider ID8635064

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(6S,7R)-3-(3,5-Dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-2,3,6,7-tetrahydro-5H-furo[3,2-g]chromen-4,6-diol [German] [ACD/IUPAC Name]
(6S,7R)-3-(3,5-Dihydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-2,3,6,7-tetrahydro-5H-furo[3,2-g]chromene-4,6-diol [ACD/IUPAC Name]
(6S,7R)-3-(3,5-Dihydroxyphényl)-2-(4-hydroxy-3-méthoxyphényl)-7-(4-hydroxyphényl)-2,3,6,7-tétrahydro-5H-furo[3,2-g]chromène-4,6-diol [French] [ACD/IUPAC Name]
5H-Furo[3,2-g][1]benzopyran-4,6-diol, 3-(3,5-dihydroxyphenyl)-2,3,6,7-tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (6S,7R)- [ACD/Index Name]
Gnetoflavanol A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 733.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.2±32.9 °C
Index of Refraction: 1.725
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.09
ACD/KOC (pH 5.5): 899.94
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 91.39
ACD/KOC (pH 7.4): 874.10
Polar Surface Area: 149 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 77.4±3.0 dyne/cm
Molar Volume: 353.1±3.0 cm3

Click to predict properties on the Chemicalize site


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