ChemSpider 2D Image | bis(8-catechinyl)methane | C31H28O12

bis(8-catechinyl)methane

  • Molecular FormulaC31H28O12
  • Average mass592.547 Da
  • Monoisotopic mass592.158081 Da
  • ChemSpider ID30777478

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R,3S,2'R,3'S)-8,8'-Methylenbis[2-(3,4-dihydroxyphenyl)-3,5,7-chromantriol] [German] [ACD/IUPAC Name]
(2R,3S,2'R,3'S)-8,8'-Methylenebis[2-(3,4-dihydroxyphenyl)-3,5,7-chromanetriol] [ACD/IUPAC Name]
(2R,3S,2'R,3'S)-8,8'-Méthylènebis[2-(3,4-dihydroxyphényl)-3,5,7-chromanetriol] [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3,5,7-triol, 8,8'-methylenebis[2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S,2'R,3'S)- [ACD/Index Name]
81555-08-0 [RN]
bis(8-catechinyl)methane
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-{[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]methyl}-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
8,8'-Methylenebiscatechin
Bis-8,8'-Catechinylmethane
Di(8-Catechinyl)methane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.7±0.1 g/cm3
Boiling Point: 991.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.4±3.0 kJ/mol
Flash Point: 553.3±34.3 °C
Index of Refraction: 1.791
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.60
ACD/KOC (pH 5.5): 103.69
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.57
ACD/KOC (pH 7.4): 102.89
Polar Surface Area: 221 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 99.9±3.0 dyne/cm
Molar Volume: 354.4±3.0 cm3

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