ChemSpider 2D Image | (1alpha,2beta,3beta,4aalpha,4bbeta,10beta)-2,3-Dihydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid | C20H26O8

(1α,2β,3β,4aα,4bβ,10β)-2,3-Dihydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid

  • Molecular FormulaC20H26O8
  • Average mass394.416 Da
  • Monoisotopic mass394.162781 Da
  • ChemSpider ID103885428

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,2β,3β,4aα,4bβ,10β)-2,3-Dihydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid [ACD/IUPAC Name]
(1α,2β,3β,4aα,4bβ,10β)-2,3-Dihydroxy-1-methyl-8-methylengibban-1,4a,10-tricarbonsäure [German] [ACD/IUPAC Name]
54605-43-5 [RN]
Acide (1α,2β,3β,4aα,4bβ,10β)-2,3-dihydroxy-1-méthyl-8-méthylènegibbane-1,4a,10-tricarboxylique [French] [ACD/IUPAC Name]
Gibbane-1,4a,10-tricarboxylic acid, 2,3-dihydroxy-1-methyl-8-methylene-, (1α,2β,3β,4aα,4bβ,10β)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 566.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 310.2±26.6 °C
Index of Refraction: 1.643
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 259.9±5.0 cm3

Click to predict properties on the Chemicalize site


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