ChemSpider 2D Image | dihydrosinularin | C20H32O4

dihydrosinularin

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID27022616

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,4S,6S,9E,13S,14R,17S)-13-Hydroxy-4,9,13,17-tetramethyl-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-on [German] [ACD/IUPAC Name]
(1R,4S,6S,9E,13S,14R,17S)-13-Hydroxy-4,9,13,17-tetramethyl-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one [ACD/IUPAC Name]
(1R,4S,6S,9E,13S,14R,17S)-13-Hydroxy-4,9,13,17-tétraméthyl-5,15-dioxatricyclo[12.3.1.04,6]octadéc-9-én-16-one [French] [ACD/IUPAC Name]
5,15-Dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one, 13-hydroxy-4,9,13,17-tetramethyl-, (1R,4S,6S,9E,13S,14R,17S)- [ACD/Index Name]
dihydrosinularin
dihydroflexibilide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 483.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 165.4±22.2 °C
Index of Refraction: 1.491
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.03
ACD/KOC (pH 5.5): 1626.35
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.03
ACD/KOC (pH 7.4): 1626.35
Polar Surface Area: 59 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 321.4±3.0 cm3

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