ChemSpider 2D Image | (5S,6S)-7-Methylene-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylic acid | C22H20O8

(5S,6S)-7-Methylene-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylic acid

  • Molecular FormulaC22H20O8
  • Average mass412.389 Da
  • Monoisotopic mass412.115814 Da
  • ChemSpider ID30816824

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6S)-7-Methylen-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-carbonsäure [German] [ACD/IUPAC Name]
(5S,6S)-7-Methylene-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylic acid [ACD/IUPAC Name]
Acide (5S,6S)-7-méthylène-8-oxo-5-(3,4,5-triméthoxyphényl)-5,6,7,8-tétrahydronaphto[2,3-d][1,3]dioxole-6-carboxylique [French] [ACD/IUPAC Name]
Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-7-methylene-8-oxo-5-(3,4,5-trimethoxyphenyl)-, (5S,6S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 199.1±23.6 °C
Index of Refraction: 1.630
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.76
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 291.1±5.0 cm3

Click to predict properties on the Chemicalize site


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