ChemSpider 2D Image | homaxinolin A | C26H47BrO4

homaxinolin A

  • Molecular FormulaC26H47BrO4
  • Average mass503.553 Da
  • Monoisotopic mass502.265778 Da
  • ChemSpider ID10480982

  • 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

(2S)-2,3-Dihydroxypropyl (5E,9Z)-6-bromo-21-methyl-5,9-docosadienoate [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-(5E,9Z)-6-brom-21-methyl-5,9-docosadienoat [German] [ACD/IUPAC Name]
(5E,9Z)-6-Bromo-21-méthyl-5,9-docosadiénoate de (2S)-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
5,9-Docosadienoic acid, 6-bromo-21-methyl-, (2S)-2,3-dihydroxypropyl ester, (5E,9Z)- [ACD/Index Name]
homaxinolin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 577.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.502
Molar Refractivity: 135.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 565659.25
ACD/KOC (pH 5.5): 456299.28
ACD/LogD (pH 7.4): 7.87
ACD/BCF (pH 7.4): 565658.00
ACD/KOC (pH 7.4): 456298.28
Polar Surface Area: 67 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 457.2±3.0 cm3

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