ChemSpider 2D Image | Gibberellin A98 | C20H26O6

Gibberellin A98

  • Molecular FormulaC20H26O6
  • Average mass362.417 Da
  • Monoisotopic mass362.172943 Da
  • ChemSpider ID58827473

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,5S,8S,9S,10S,11R,16S)-5,16-Dihydroxy-11-methyl-6-methylen-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecan-9-carbonsäure [German] [ACD/IUPAC Name]
(1R,2R,5S,8S,9S,10S,11R,16S)-5,16-Dihydroxy-11-methyl-6-methylene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid [ACD/IUPAC Name]
5a,8-Methano-4,10b-propano-1H-azuleno[1,2-c]pyran-5-carboxylic acid, decahydro-8,12-dihydroxy-4-methyl-7-methylene-3-oxo-, (4R,4aS,5S,5aS,8S,10aR,10bR,12S)- [ACD/Index Name]
95784-14-8 [RN]
Acide (1R,2R,5S,8S,9S,10S,11R,16S)-5,16-dihydroxy-11-méthyl-6-méthylène-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadécane-9-carboxylique [French] [ACD/IUPAC Name]
Gibberellin A98
(1R,3S,4aR,4bR,7S,9aS,10S,10aS)-3,7-dihydroxy-1-methyl-8-methylidene-14-oxododecahydro-7,9a-methano-1,4a-(methanooxymethano)benzo[a]azulene-10-carboxylic acid
GA98

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 226.1±25.0 °C
Index of Refraction: 1.629
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 254.8±5.0 cm3

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