ChemSpider 2D Image | Methyl (28E,30S)-30-hydroxy-28-dotriacontene-2,9,14,19,21,31-hexaynoate | C33H40O3

Methyl (28E,30S)-30-hydroxy-28-dotriacontene-2,9,14,19,21,31-hexaynoate

  • Molecular FormulaC33H40O3
  • Average mass484.669 Da
  • Monoisotopic mass484.297760 Da
  • ChemSpider ID24703327

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(28E,30S)-30-Hydroxy-28-dotriacontène-2,9,14,19,21,31-hexaynoate de méthyle [French] [ACD/IUPAC Name]
28-Dotriacontene-2,9,14,19,21,31-hexaynoic acid, 30-hydroxy-, methyl ester, (28E,30S)- [ACD/Index Name]
Methyl (28E,30S)-30-hydroxy-28-dotriacontene-2,9,14,19,21,31-hexaynoate [ACD/IUPAC Name]
Methyl-(28E,30S)-30-hydroxy-28-dotriaconten-2,9,14,19,21,31-hexainoat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485476/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 658.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 204.3±25.0 °C
Index of Refraction: 1.536
Molar Refractivity: 146.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 1
ACD/LogP: 9.13
ACD/LogD (pH 5.5): 7.73
ACD/BCF (pH 5.5): 443330.44
ACD/KOC (pH 5.5): 383265.66
ACD/LogD (pH 7.4): 7.73
ACD/BCF (pH 7.4): 443326.56
ACD/KOC (pH 7.4): 383262.28
Polar Surface Area: 47 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 468.5±3.0 cm3

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