ChemSpider 2D Image | (2S,3S,4R)-2-(3,4,5-Trihydroxyphenyl)-3,4,5,7-chromanetetrol | C15H14O8

(2S,3S,4R)-2-(3,4,5-Trihydroxyphenyl)-3,4,5,7-chromanetetrol

  • Molecular FormulaC15H14O8
  • Average mass322.267 Da
  • Monoisotopic mass322.068878 Da
  • ChemSpider ID23332826

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4R)-2-(3,4,5-Trihydroxyphenyl)-3,4,5,7-chromanetetrol [ACD/IUPAC Name]
(2S,3S,4R)-2-(3,4,5-Trihydroxyphényl)-3,4,5,7-chromanetétrol [French] [ACD/IUPAC Name]
(2S,3S,4R)-2-(3,4,5-Trihydroxyphenyl)-3,4,5,7-chromantetrol [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3,4,5,7-tetrol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2S,3S,4R)- [ACD/Index Name]
(2S,3S,4R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460265/
leucodelphinidin [Wiki]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 634.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.2±31.5 °C
Index of Refraction: 1.816
Molar Refractivity: 77.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.78
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.14
Polar Surface Area: 151 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 113.7±3.0 dyne/cm
Molar Volume: 177.6±3.0 cm3

Click to predict properties on the Chemicalize site


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