ChemSpider 2D Image | botryolide E | C10H14O5

botryolide E

  • Molecular FormulaC10H14O5
  • Average mass214.215 Da
  • Monoisotopic mass214.084122 Da
  • ChemSpider ID26388232

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R,4S)-4-Hydroxy-4-[(2S)-5-oxo-2,5-dihydro-2-furanyl]-2-butanyl acetate [ACD/IUPAC Name]
(2R,4S)-4-Hydroxy-4-[(2S)-5-oxo-2,5-dihydro-2-furanyl]-2-butanyl-acetat [German] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(1S,3R)-3-(acetyloxy)-1-hydroxybutyl]-, (5S)- [ACD/Index Name]
Acétate de (2R,4S)-4-hydroxy-4-[(2S)-5-oxo-2,5-dihydro-2-furanyl]-2-butanyle [French] [ACD/IUPAC Name]
botryolide E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 348.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 135.0±15.8 °C
Index of Refraction: 1.501
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.08
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.08
Polar Surface Area: 73 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 172.5±3.0 cm3

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