ChemSpider 2D Image | (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-Dihydroxy-11-methyl-6-(~2~H_2_)methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylic acid | C19H20D2O6

(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-Dihydroxy-11-methyl-6-(2H2)methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid

  • Molecular FormulaC19H20D2O6
  • Average mass348.387 Da
  • Monoisotopic mass348.154205 Da
  • ChemSpider ID57579571

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-Dihydroxy-11-methyl-6-(2H2)methylen-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-en-9-carbonsäure [German] [ACD/IUPAC Name]
(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-Dihydroxy-11-methyl-6-(2H2)methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid [ACD/IUPAC Name]
4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, 1,2,4b,5,6,7,8,9,10,10a-decahydro-2,7-dihydroxy-1-methyl-8-(methylene-d2)-13-oxo-, (1S,2S,4aR,4bR,7S,9aS,10S,10aR)- [ACD/Index Name]
Acide (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-méthyl-6-(2H2)méthylène-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadéc-13-ène-9-carboxylique [French] [ACD/IUPAC Name]
[2H2]Gibberellic acid
120396-36-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 628.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 231.4±25.0 °C
Index of Refraction: 1.661
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 232.0±5.0 cm3

Click to predict properties on the Chemicalize site


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