ChemSpider 2D Image | Berkeleylactone F | C16H28O5

Berkeleylactone F

  • Molecular FormulaC16H28O5
  • Average mass300.391 Da
  • Monoisotopic mass300.193665 Da
  • ChemSpider ID78438933

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3E,5R,6S,15S,16R)-5,6,15-Trihydroxy-16-methyloxacyclohexadec-3-en-2-on [German] [ACD/IUPAC Name]
(3E,5R,6S,15S,16R)-5,6,15-Trihydroxy-16-methyloxacyclohexadec-3-en-2-one [ACD/IUPAC Name]
(3E,5R,6S,15S,16R)-5,6,15-Trihydroxy-16-méthyloxacyclohexadéc-3-én-2-one [French] [ACD/IUPAC Name]
2095114-72-8 [RN]
Berkeleylactone F
Oxacyclohexadec-3-en-2-one, 5,6,15-trihydroxy-16-methyl-, (3E,5R,6S,15S,16R)- [ACD/Index Name]
(3E,5R,6S,15S,16R)-5,6,15-trihydroxy-16-methyl-1-oxacyclohexadec-3-en-2-on
4R,5S,14S-trihydroxy-15R-hexadeca-3E-enolide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 510.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 183.2±23.6 °C
Index of Refraction: 1.492
Molar Refractivity: 80.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.75
ACD/KOC (pH 5.5): 150.74
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.75
ACD/KOC (pH 7.4): 150.74
Polar Surface Area: 87 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 275.6±3.0 cm3

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