ChemSpider 2D Image | (5S,6S,7S)-6,10-Dihydroxy-1,2,3,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl (2E)-2-methyl-2-butenoate | C28H36O9

(5S,6S,7S)-6,10-Dihydroxy-1,2,3,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC28H36O9
  • Average mass516.580 Da
  • Monoisotopic mass516.235962 Da
  • ChemSpider ID29396229

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (5S,6S,7S)-6,10-dihydroxy-1,2,3,11,12-pentaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-5-yle [French] [ACD/IUPAC Name]
(5S,6S,7S)-6,10-Dihydroxy-1,2,3,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(5S,6S,7S)-6,10-Dihydroxy-1,2,3,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (5S,6S,7S)-5,6,7,8-tetrahydro-6,10-dihydroxy-1,2,3,11,12-pentamethoxy-6,7-dimethyldibenzo[a,c]cycloocten-5-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 210.9±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 613.72
ACD/KOC (pH 5.5): 3445.05
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 600.46
ACD/KOC (pH 7.4): 3370.65
Polar Surface Area: 113 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 410.4±5.0 cm3

Click to predict properties on the Chemicalize site


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