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Search term: 81131521 (Found by CSID)
ChemSpider 2D Image | penicilactone B | C14H14O6

penicilactone B

  • Molecular FormulaC14H14O6
  • Average mass278.257 Da
  • Monoisotopic mass278.079041 Da
  • ChemSpider ID81131521

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-4-Hydroxy-2-méthyl-5-oxo-2,5-dihydro-2-furanyl]acétate de 3-hydroxy-5-méthylphényle [French] [ACD/IUPAC Name]
2-Furanacetic acid, 2,5-dihydro-4-hydroxy-2-methyl-5-oxo-, 3-hydroxy-5-methylphenyl ester, (2S)- [ACD/Index Name]
3-Hydroxy-5-methylphenyl [(2S)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-2-furanyl]acetate [ACD/IUPAC Name]
3-Hydroxy-5-methylphenyl-[(2S)-4-hydroxy-2-methyl-5-oxo-2,5-dihydro-2-furanyl]acetat [German] [ACD/IUPAC Name]
penicilactone B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 541.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 208.2±23.6 °C
Index of Refraction: 1.596
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.37
ACD/KOC (pH 5.5): 115.83
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.04
ACD/KOC (pH 7.4): 108.88
Polar Surface Area: 93 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 200.7±3.0 cm3

Click to predict properties on the Chemicalize site


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