ChemSpider 2D Image | (2S)-2-Hydroxy-3-(beta-L-talopyranosyloxy)propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C27H46O9

(2S)-2-Hydroxy-3-(β-L-talopyranosyloxy)propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC27H46O9
  • Average mass514.649 Da
  • Monoisotopic mass514.314209 Da
  • ChemSpider ID62465516

  • 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

(2S)-2-Hydroxy-3-(β-L-talopyranosyloxy)propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-(β-L-talopyranosyloxy)propyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de (2S)-2-hydroxy-3-(β-L-talopyranosyloxy)propyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (2S)-2-hydroxy-3-(β-L-talopyranosyloxy)propyl ester, (9Z,12Z,15Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.5±6.0 kJ/mol
Flash Point: 218.9±25.0 °C
Index of Refraction: 1.543
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.91
ACD/KOC (pH 5.5): 1939.02
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.91
ACD/KOC (pH 7.4): 1939.00
Polar Surface Area: 146 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 437.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement