ChemSpider 2D Image | sinulaflexiolide C | C22H34O8

sinulaflexiolide C

  • Molecular FormulaC22H34O8
  • Average mass426.501 Da
  • Monoisotopic mass426.225372 Da
  • ChemSpider ID27023704

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3S,7R,8S,12R)-3,4,8-Trihydroxy-4,8,12-trimethyl-15-methylen-11,14-dioxo-13-oxabicyclo[10.3.2]heptadec-7-yl-acetat [German] [ACD/IUPAC Name]
(1R,3S,7R,8S,12R)-3,4,8-Trihydroxy-4,8,12-trimethyl-15-methylene-11,14-dioxo-13-oxabicyclo[10.3.2]heptadec-7-yl acetate [ACD/IUPAC Name]
13-Oxabicyclo[10.3.2]heptadecane-11,14-dione, 7-(acetyloxy)-3,4,8-trihydroxy-4,8,12-trimethyl-15-methylene-, (1R,3S,7R,8S,12R)- [ACD/Index Name]
Acétate de (1R,3S,7R,8S,12R)-3,4,8-trihydroxy-4,8,12-triméthyl-15-méthylène-11,14-dioxo-13-oxabicyclo[10.3.2]heptadéc-7-yle [French] [ACD/IUPAC Name]
sinulaflexiolide C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 197.3±23.6 °C
Index of Refraction: 1.536
Molar Refractivity: 107.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.90
ACD/KOC (pH 5.5): 74.55
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 74.55
Polar Surface Area: 130 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 345.4±5.0 cm3

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