ChemSpider 2D Image | Ligraminol A | C23H30O6

Ligraminol A

  • Molecular FormulaC23H30O6
  • Average mass402.481 Da
  • Monoisotopic mass402.204254 Da
  • ChemSpider ID28525219

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4S,5S)-2-(3,4-Dimethoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran [German] [ACD/IUPAC Name]
(2S,3R,4S,5S)-2-(3,4-Dimethoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran [ACD/IUPAC Name]
(2S,3R,4S,5S)-2-(3,4-Diméthoxyphényl)-3,4-diméthyl-5-(3,4,5-triméthoxyphényl)tétrahydrofurane [French] [ACD/IUPAC Name]
Furan, 2-(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-, (2S,3R,4S,5S)- [ACD/Index Name]
Ligraminol A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 500.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 197.3±30.0 °C
Index of Refraction: 1.519
Molar Refractivity: 111.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 329.05
ACD/KOC (pH 5.5): 2205.24
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 329.05
ACD/KOC (pH 7.4): 2205.24
Polar Surface Area: 55 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 368.1±3.0 cm3

Click to predict properties on the Chemicalize site


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