ChemSpider 2D Image | (1R,2R,5S,8S,9S,10R,11R)-5-Hydroxy-11-methyl-6-methylene-17-oxo-13,16-dioxahexacyclo[9.4.2.1~5,8~.0~1,10~.0~2,8~.0~12,14~]octadecane-9-carboxylate | C19H21O6

(1R,2R,5S,8S,9S,10R,11R)-5-Hydroxy-11-methyl-6-methylene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylate

  • Molecular FormulaC19H21O6
  • Average mass345.367 Da
  • Monoisotopic mass345.134369 Da
  • ChemSpider ID128920500

  • Charge - Charge

    defined stereocentres - 7 of 9 defined stereocentres

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-methylen-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecan-9-carboxylat [German] [ACD/IUPAC Name]
(1R,2R,5S,8S,9S,10R,11R)-5-Hydroxy-11-methyl-6-methylene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylate [ACD/IUPAC Name]
(1R,2R,5S,8S,9S,10R,11R)-5-Hydroxy-11-méthyl-6-méthylène-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadécane-9-carboxylate [French] [ACD/IUPAC Name]
2a,9-(Epoxymethano)-5,7a-methanocyclohept[1,2]indeno[5,6-b]oxirene-8-carboxylic acid, dodecahydro-5-hydroxy-9-methyl-6-methylene-10-oxo-, ion(1-), (2aR,2bR,5S,7aS,8S,8aR,9R)- [ACD/Index Name]
GA6
GA6
gibberellic acid A6
gibberellin A6

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

Density:
Boiling Point: 609.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.9±6.0 kJ/mol
Flash Point: 225.7±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.91
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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