ChemSpider 2D Image | pentalenolactone F | C15H18O5

pentalenolactone F

  • Molecular FormulaC15H18O5
  • Average mass278.300 Da
  • Monoisotopic mass278.115417 Da
  • ChemSpider ID23550648

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4a'R,7a'S,9a'R)-6',6'-Dimethyl-3'-oxo-1',5',6',7',7a',9a'-hexahydrospiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid [ACD/IUPAC Name]
pentalenolactone F
Spiro[oxirane-2,4'(3'H)-pentaleno[1,6a-c]pyran]-9'-carboxylic acid, 1',5',6',7',7'a,9'a-hexahydro-6',6'-dimethyl-3'-oxo-, (2R,4a'R,7a'S,9a'R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.2±6.0 kJ/mol
Flash Point: 188.3±22.2 °C
Index of Refraction: 1.597
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 17.70
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 200.3±5.0 cm3

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