ChemSpider 2D Image | 2-BUTOXYETHYL GIBBERELLATE | C25H34O7

2-BUTOXYETHYL GIBBERELLATE

  • Molecular FormulaC25H34O7
  • Average mass446.533 Da
  • Monoisotopic mass446.230438 Da
  • ChemSpider ID52083430
  • 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,10R,11S,12S)-5,12-Dihydroxy-11-méthyl-6-méthylène-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadéc-13-ène-9-carboxylate de 2-butoxyéthyle [French] [ACD/IUPAC Name]
2-Butoxyethyl (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate [ACD/IUPAC Name]
2-BUTOXYETHYL GIBBERELLATE
2-Butoxyethyl-(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylen-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-en-9-carboxylat [German] [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-13-oxo-, 2-butoxyethyl ester, (1S,2S,4aR,4bR,7S,9aS,10S,10aR)- [ACD/Index Name]
6550-86-3 [RN]
Gibberellic acid, 2-butoxyethyl ester

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

4KMR46N8V1 [DBID]
UNII:4KMR46N8V1 [DBID]

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

Density: 1.3±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: 211.8±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.77
ACD/KOC (pH 5.5): 227.38
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.77
ACD/KOC (pH 7.4): 227.38
Polar Surface Area: 102 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 343.6±5.0 cm3

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