ChemSpider 2D Image | (1S,4R,6R,7S,8E,10S)-7-Hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl acetate | C12H16O6

(1S,4R,6R,7S,8E,10S)-7-Hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl acetate

  • Molecular FormulaC12H16O6
  • Average mass256.252 Da
  • Monoisotopic mass256.094696 Da
  • ChemSpider ID21194954

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1S,4R,6R,7S,8E,10S)-7-Hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl acetate [ACD/IUPAC Name]
(1S,4R,6R,7S,8E,10S)-7-Hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,4R,6R,7S,8E,10S)-7-hydroxy-4-méthyl-2-oxo-3,11-dioxabicyclo[8.1.0]undéc-8-én-6-yle [French] [ACD/IUPAC Name]
8a-acetoxymultiplolide A
8α-acetoxymultiplolide A
8α-ACETOXYMULTIPLOLIDE A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL446482/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 413.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 158.0±22.2 °C
Index of Refraction: 1.527
Molar Refractivity: 60.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.45
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.45
Polar Surface Area: 85 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 196.0±5.0 cm3

Click to predict properties on the Chemicalize site


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