ChemSpider 2D Image | tsangin C | C24H30O9

tsangin C

  • Molecular FormulaC24H30O9
  • Average mass462.490 Da
  • Monoisotopic mass462.188995 Da
  • ChemSpider ID26618965

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-Methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
(1R,2S)-2-Methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de (1R,2S)-2-méthyl-3-oxo-1-(3,4,5-triméthoxyphényl)butyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, (1R,2S)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl ester [ACD/Index Name]
tsangin C
[(1R,2S)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl]3,4,5-trimethoxybenzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 546.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 232.8±30.2 °C
Index of Refraction: 1.523
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.06
ACD/KOC (pH 5.5): 787.40
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.06
ACD/KOC (pH 7.4): 787.40
Polar Surface Area: 99 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 396.3±3.0 cm3

Click to predict properties on the Chemicalize site


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