ChemSpider 2D Image | (2S,3S)-2-(3,4-Dihydroxyphenyl)-3-methyl-5,7-chromanediol | C16H16O5

(2S,3S)-2-(3,4-Dihydroxyphenyl)-3-methyl-5,7-chromanediol

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID23311731
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3S)-2-(3,4-dihydroxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol
(2S,3S)-2-(3,4-Dihydroxyphenyl)-3-methyl-5,7-chromandiol [German] [ACD/IUPAC Name]
(2S,3S)-2-(3,4-Dihydroxyphenyl)-3-methyl-5,7-chromanediol [ACD/IUPAC Name]
(2S,3S)-2-(3,4-Dihydroxyphényl)-3-méthyl-5,7-chromanediol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-5,7-diol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-3-methyl-, (2S,3S)- [ACD/Index Name]
(+)-catechin
(2S,3S)-2-(3,4-dihydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-5,7-diol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 561.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 293.3±30.1 °C
Index of Refraction: 1.671
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.60
ACD/KOC (pH 5.5): 313.86
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.15
ACD/KOC (pH 7.4): 307.30
Polar Surface Area: 90 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 205.2±3.0 cm3

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