ChemSpider 2D Image | (2S)-3-(alpha-D-Galactopyranosyloxy)-2-[(9Z)-9-octadecenoyloxy]propyl (9Z,12Z)-9,12-octadecadienoate | C45H80O10

(2S)-3-(α-D-Galactopyranosyloxy)-2-[(9Z)-9-octadecenoyloxy]propyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC45H80O10
  • Average mass781.111 Da
  • Monoisotopic mass780.575134 Da
  • ChemSpider ID26325342
  • 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)-3-(α-D-Galactopyranosyloxy)-2-[(9Z)-9-octadecenoyloxy]propyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(2S)-3-(α-D-Galactopyranosyloxy)-2-[(9Z)-9-octadecenoyloxy]propyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(2s)-3-(α-D-Galactopyranosyloxy)-2-[(9z)-Octadec-9-Enoyloxy]propyl (9z,12z)-Octadeca-9,12-Dienoate
(9Z,12Z)-9,12-Octadécadiénoate de (2S)-3-(α-D-galactopyranosyloxy)-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (2S)-3-(α-D-galactopyranosyloxy)-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
1L2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 826.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.6±6.0 kJ/mol
Flash Point: 228.3±27.8 °C
Index of Refraction: 1.518
Molar Refractivity: 221.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 13.14
ACD/LogD (pH 5.5): 11.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 152 Å2
Polarizability: 87.7±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 730.9±5.0 cm3

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