ChemSpider 2D Image | (2S,3R,4R)-2-(3,4-Dihydroxyphenyl)-3,4,5,7-chromanetetrol | C15H14O7

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

  • Molecular FormulaC15H14O7
  • Average mass306.267 Da
  • Monoisotopic mass306.073944 Da
  • ChemSpider ID62551811

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,4R)-2-(3,4-Dihydroxyphenyl)-3,4,5,7-chromanetetrol [ACD/IUPAC Name]
(2S,3R,4R)-2-(3,4-Dihydroxyphényl)-3,4,5,7-chromanetétrol [French] [ACD/IUPAC Name]
(2S,3R,4R)-2-(3,4-Dihydroxyphenyl)-3,4,5,7-chromantetrol [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R,4R)- [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: 641.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 341.8±31.5 °C
Index of Refraction: 1.780
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.85
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.20
Polar Surface Area: 131 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 98.8±3.0 dyne/cm
Molar Volume: 179.2±3.0 cm3

Click to predict properties on the Chemicalize site


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