ChemSpider 2D Image | cephalosporolide H | C18H30O4

cephalosporolide H

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID23076340

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3a'R,5R,6a'R)-5-Heptyl-6',6'-dimethylhexahydro-3H,5'H-spiro[furan-2,2'-furo[3,2-b]furan]-5'-one [ACD/IUPAC Name]
cephalosporolide H
Spiro[furan-2(3H),2'(5'H)-furo[3,2-b]furan]-5'-one, 5-heptylhexahydro-6',6'-dimethyl-, (2R,3a'R,5R,6a'R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 436.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 190.4±28.8 °C
Index of Refraction: 1.502
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 910.19
ACD/KOC (pH 5.5): 4568.21
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 910.19
ACD/KOC (pH 7.4): 4568.21
Polar Surface Area: 45 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 286.7±5.0 cm3

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