ChemSpider 2D Image | cephalosporolide I | C15H22O6

cephalosporolide I

  • Molecular FormulaC15H22O6
  • Average mass298.332 Da
  • Monoisotopic mass298.141632 Da
  • ChemSpider ID23076341
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

4-[(2R,3a'R,5R,6a'R)-6',6'-Dimethyl-5'-oxohexahydro-3H,3'H-spiro[furan-2,2'-furo[3,2-b]furan]-5-yl]butanoic acid [ACD/IUPAC Name]
cephalosporolide I
Spiro[furan-2(3H),2'(3'H)-furo[3,2-b]furan]-5-butanoic acid, hexahydro-6',6'-dimethyl-5'-oxo-, (2R,3'aR,5R,6'aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 506.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.9±6.0 kJ/mol
Flash Point: 188.6±23.6 °C
Index of Refraction: 1.535
Molar Refractivity: 72.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.57
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 232.3±5.0 cm3

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