ChemSpider 2D Image | salinipyrone A | C17H24O4

salinipyrone A

  • Molecular FormulaC17H24O4
  • Average mass292.370 Da
  • Monoisotopic mass292.167450 Da
  • ChemSpider ID23340759

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2H-Pyran-2-one, 4-hydroxy-6-[(1E,3E,5S,6R)-6-hydroxy-3,5-dimethyl-1,3-octadien-1-yl]-3,5-dimethyl- [ACD/Index Name]
4-Hydroxy-6-[(1E,3E,5S,6R)-6-hydroxy-3,5-dimethyl-1,3-octadien-1-yl]-3,5-dimethyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-6-[(1E,3E,5S,6R)-6-hydroxy-3,5-dimethyl-1,3-octadien-1-yl]-3,5-dimethyl-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-6-[(1E,3E,5S,6R)-6-hydroxy-3,5-diméthyl-1,3-octadién-1-yl]-3,5-diméthyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
salinipyrone A
(-)-salinipyrone A
1016901-14-6 [RN]
4-hydroxy-6-[(1E,3E,5S,6R)-6-hydroxy-3,5-dimethylocta-1,3-dien-1-yl]-3,5-dimethyl-2H-pyran-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465527/
  • Miscellaneous

    • Chemical Class:

      A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (1E,3E,5S,6R)-6-hydroxy-3,5-dimethylocta-1,3-d ienyl groups, respectively. It is a polyketide isolated from the marine actinomycete Salinispora pacifica. ChEBI CHEBI:156357

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±6.0 kJ/mol
Flash Point: 161.1±22.2 °C
Index of Refraction: 1.584
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 26.25
ACD/KOC (pH 5.5): 324.37
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 12.83
Polar Surface Area: 67 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 252.6±3.0 cm3

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