ChemSpider 2D Image | (5S,11R,14S)-14-Hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one | C14H22O4

(5S,11R,14S)-14-Hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one

  • Molecular FormulaC14H22O4
  • Average mass254.322 Da
  • Monoisotopic mass254.151810 Da
  • ChemSpider ID28288419

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5S,11R,14S)-14-Hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-on [German] [ACD/IUPAC Name]
(5S,11R,14S)-14-Hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one [ACD/IUPAC Name]
(5S,11R,14S)-14-Hydroxy-5-méthyl-4,15-dioxabicyclo[9.3.1]pentadéc-9-én-3-one [French] [ACD/IUPAC Name]
4,15-Dioxabicyclo[9.3.1]pentadec-9-en-3-one, 14-hydroxy-5-methyl-, (5S,11R,14S)- [ACD/Index Name]
aspergillide A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 444.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±6.0 kJ/mol
Flash Point: 166.1±22.2 °C
Index of Refraction: 1.482
Molar Refractivity: 67.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.55
ACD/KOC (pH 5.5): 212.83
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.55
ACD/KOC (pH 7.4): 212.83
Polar Surface Area: 56 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 236.0±3.0 cm3

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