ChemSpider 2D Image | (1R,2R,5S,8S,9S,10R,11R)-5-Hydroxy-11-methyl-6-(~2~H_2_)methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadecane-9-carboxylic acid | C19H22D2O5

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

  • Molecular FormulaC19H22D2O5
  • Average mass334.403 Da
  • Monoisotopic mass334.174927 Da
  • ChemSpider ID57579561

  • defined stereocentres - 7 of 7 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,11R)-5-Hydroxy-11-methyl-6-(2H2)methylen-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecan-9-carbonsäure [German] [ACD/IUPAC Name]
(1R,2R,5S,8S,9S,10R,11R)-5-Hydroxy-11-methyl-6-(2H2)methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid [ACD/IUPAC Name]
4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, dodecahydro-7-hydroxy-1-methyl-8-(methylene-d2)-13-oxo-, (1R,4aR,4bR,7S,9aS,10S,10aR)- [ACD/Index Name]
Acide (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-méthyl-6-(2H2)méthylène-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadécane-9-carboxylique [French] [ACD/IUPAC Name]
[2H2]Gibberellin A20
203125-99-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 209.0±23.6 °C
Index of Refraction: 1.618
Molar Refractivity: 84.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 240.7±5.0 cm3

Click to predict properties on the Chemicalize site


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