ChemSpider 2D Image | (1S,2S,5R,9S,14S)-14-Hydroxyspiro[15,17-dioxapentacyclo[7.5.2.1~2,5~.0~1,11~.0~5,9~]heptadec-10-ene-6,2'-[1,3]dioxolan]-16-one | C17H20O6

(1S,2S,5R,9S,14S)-14-Hydroxyspiro[15,17-dioxapentacyclo[7.5.2.12,5.01,11.05,9]heptadec-10-ene-6,2'-[1,3]dioxolan]-16-one

  • Molecular FormulaC17H20O6
  • Average mass320.337 Da
  • Monoisotopic mass320.125977 Da
  • ChemSpider ID21199729

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,5R,9S,14S)-14-Hydroxyspiro[15,17-dioxapentacyclo[7.5.2.12,5.01,11.05,9]heptadec-10-ene-6,2'-[1,3]dioxolan]-16-one [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 606.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 230.1±25.0 °C
Index of Refraction: 1.649
Molar Refractivity: 76.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.36
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 39.36
Polar Surface Area: 74 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 210.9±5.0 cm3

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