ChemSpider 2D Image | (2S,2'S,3'R)-3,3'-[Methylenebis(oxy)]bis[2-(3,4-dihydroxyphenyl)-5,7-chromanediol] | C31H28O12

(2S,2'S,3'R)-3,3'-[Methylenebis(oxy)]bis[2-(3,4-dihydroxyphenyl)-5,7-chromanediol]

  • Molecular FormulaC31H28O12
  • Average mass592.547 Da
  • Monoisotopic mass592.158081 Da
  • ChemSpider ID95636861

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,2'S,3'R)-3,3'-[Methylenbis(oxy)]bis[2-(3,4-dihydroxyphenyl)-5,7-chromandiol] [German] [ACD/IUPAC Name]
(2S,2'S,3'R)-3,3'-[Methylenebis(oxy)]bis[2-(3,4-dihydroxyphenyl)-5,7-chromanediol] [ACD/IUPAC Name]
(2S,2'S,3'R)-3,3'-[Méthylènebis(oxy)]bis[2-(3,4-dihydroxyphényl)-5,7-chromanediol] [French] [ACD/IUPAC Name]
2H-1-Benzopyran-5,7-diol, 3,3'-[methylenebis(oxy)]bis[2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,2'S,3'R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 942.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.8±3.0 kJ/mol
Flash Point: 523.7±34.3 °C
Index of Refraction: 1.807
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.05
ACD/KOC (pH 5.5): 425.55
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.40
ACD/KOC (pH 7.4): 404.31
Polar Surface Area: 199 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 118.7±5.0 dyne/cm
Molar Volume: 344.8±5.0 cm3

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