ChemSpider 2D Image | (1beta,4abeta,4balpha,7beta,9abeta,10alpha,10aalpha)-7-Hydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid | C20H26O7

(1β,4aβ,4bα,7β,9aβ,10α,10aα)-7-Hydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid

  • Molecular FormulaC20H26O7
  • Average mass378.416 Da
  • Monoisotopic mass378.167847 Da
  • ChemSpider ID59696801

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1β,4aβ,4bα,7β,9aβ,10α,10aα)-7-Hydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid [ACD/IUPAC Name]
(1β,4aβ,4bα,7β,9aβ,10α,10aα)-7-Hydroxy-1-methyl-8-methylengibban-1,4a,10-tricarbonsäure [German] [ACD/IUPAC Name]
Acide (1β,4aβ,4bα,7β,9aβ,10α,10aα)-7-hydroxy-1-méthyl-8-méthylènegibbane-1,4a,10-tricarboxylique [French] [ACD/IUPAC Name]
Gibbane-1,4a,10-tricarboxylic acid, 7-hydroxy-1-methyl-8-methylene-, (1β,4aβ,4bα,7β,9aβ,10α,10aα)- [ACD/Index Name]
(1S,2S,3R,4R,8R,9R,12S)-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0??,?.0??,?]pentadecane-2,4,8-tricarboxylic acid
18411-79-5 [RN]
gibberellin A17

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

Density: 1.4±0.1 g/cm3
Boiling Point: 542.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 295.8±26.6 °C
Index of Refraction: 1.626
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 261.1±5.0 cm3

Click to predict properties on the Chemicalize site


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