ChemSpider 2D Image | penixylarin D | C24H40O8S

penixylarin D

  • Molecular FormulaC24H40O8S
  • Average mass488.635 Da
  • Monoisotopic mass488.244385 Da
  • ChemSpider ID77001601

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Dihydroxy-6-[(12S)-12-(sulfooxy)heptadecyl]benzoesäure [German] [ACD/IUPAC Name]
2,4-Dihydroxy-6-[(12S)-12-(sulfooxy)heptadecyl]benzoic acid [ACD/IUPAC Name]
Acide 2,4-dihydroxy-6-[(12S)-12-(sulfooxy)heptadécyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-6-[(12S)-12-(sulfooxy)heptadecyl]- [ACD/Index Name]
penixylarin D
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4548548/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 8.64
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 3.82
ACD/KOC (pH 5.5): 4.79
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 4.66
Polar Surface Area: 150 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 404.5±3.0 cm3

Click to predict properties on the Chemicalize site


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