ChemSpider 2D Image | (5S)-5-Methyl-3-[(2R,8S)-2,8,16-trihydroxytriacontyl]-2(5H)-furanone | C35H66O5

(5S)-5-Methyl-3-[(2R,8S)-2,8,16-trihydroxytriacontyl]-2(5H)-furanone

  • Molecular FormulaC35H66O5
  • Average mass566.896 Da
  • Monoisotopic mass566.491028 Da
  • ChemSpider ID8706426

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5S)-5-Methyl-3-[(2R,8S)-2,8,16-trihydroxytriacontyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-Methyl-3-[(2R,8S)-2,8,16-trihydroxytriacontyl]-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-Méthyl-3-[(2R,8S)-2,8,16-trihydroxytriacontyl]-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-methyl-3-[(2R,8S)-2,8,16-trihydroxytriacontyl]-, (5S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 701.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 207.2±23.6 °C
Index of Refraction: 1.490
Molar Refractivity: 168.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 9.58
ACD/LogD (pH 5.5): 9.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3106657.25
ACD/LogD (pH 7.4): 9.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3106657.25
Polar Surface Area: 87 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 580.9±3.0 cm3

Click to predict properties on the Chemicalize site


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