ChemSpider 2D Image | (+)-stagonolide B | C12H20O5

(+)-stagonolide B

  • Molecular FormulaC12H20O5
  • Average mass244.284 Da
  • Monoisotopic mass244.131073 Da
  • ChemSpider ID23314617

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(+)-stagonolide B
(5R,6E,8S,9S,10R)-5,8,9-Trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-on [German] [ACD/IUPAC Name]
(5R,6E,8S,9S,10R)-5,8,9-Trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one [ACD/IUPAC Name]
(5R,6E,8S,9S,10R)-5,8,9-Trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxécin-2-one [French] [ACD/IUPAC Name]
2H-Oxecin-2-one, 3,4,5,8,9,10-hexahydro-5,8,9-trihydroxy-10-propyl-, (5R,6E,8S,9S,10R)- [ACD/Index Name]
stagonolide B
(5β,8α,9α,10β)-5,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-oxecin-2-one:
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402177/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 174.4±22.2 °C
Index of Refraction: 1.518
Molar Refractivity: 61.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.33
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.33
Polar Surface Area: 87 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 203.3±3.0 cm3

Click to predict properties on the Chemicalize site


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