ChemSpider 2D Image | (2S,3S)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one | C16H14O8

(2S,3S)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC16H14O8
  • Average mass334.278 Da
  • Monoisotopic mass334.068878 Da
  • ChemSpider ID22913023

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S,3S)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S,3S)-3,5,7-Trihydroxy-6-méthyl-2-(3,4,5-trihydroxyphényl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-, (2S,3S)- [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: 771.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 289.8±26.4 °C
Index of Refraction: 1.771
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.28
ACD/KOC (pH 5.5): 183.91
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 5.21
ACD/KOC (pH 7.4): 93.14
Polar Surface Area: 148 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 105.1±3.0 dyne/cm
Molar Volume: 193.4±3.0 cm3

Click to predict properties on the Chemicalize site


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