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Search term: methyl gibberellin A9 (Found by synonym)
ChemSpider 2D Image | MFCD00057857 | C20H26O4

MFCD00057857

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID28296283

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,5R,8R,9S,10R)-11-Méthyl-6-méthylène-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadécane-9-carboxylate de méthyle [French] [ACD/IUPAC Name]
2112-08-5 [RN]
4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, dodecahydro-1-methyl-8-methylene-13-oxo-, methyl ester, (4aR,4bR,7R,9aR,10S,10aR)- [ACD/Index Name]
gibberellin A9 methyl ester
Methyl (1R,2R,5R,8R,9S,10R)-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,5R,8R,9S,10R)-11-methyl-6-methylen-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecan-9-carboxylat [German] [ACD/IUPAC Name]
MFCD00057857
08/05/2112
carboxymethyl GA9
GA9 methyl ester
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 472.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 238.2±27.1 °C
Index of Refraction: 1.566
Molar Refractivity: 87.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.50
ACD/KOC (pH 5.5): 996.71
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.50
ACD/KOC (pH 7.4): 996.71
Polar Surface Area: 53 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 268.5±5.0 cm3

Click to predict properties on the Chemicalize site


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