ChemSpider 2D Image | (2S)-3-(beta-D-Galactopyranosyloxy)-2-(palmitoyloxy)propyl (9E)-9-octadecenoate | C43H80O10

(2S)-3-(β-D-Galactopyranosyloxy)-2-(palmitoyloxy)propyl (9E)-9-octadecenoate

  • Molecular FormulaC43H80O10
  • Average mass757.089 Da
  • Monoisotopic mass756.575134 Da
  • ChemSpider ID4977452

  • 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-(β-D-Galactopyranosyloxy)-2-(palmitoyloxy)propyl (9E)-9-octadecenoate [ACD/IUPAC Name]
(2S)-3-(β-D-Galactopyranosyloxy)-2-(palmitoyloxy)propyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Octadécénoate de (2S)-3-(β-D-galactopyranosyloxy)-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (2S)-3-(β-D-galactopyranosyloxy)-2-[(1-oxohexadecyl)oxy]propyl ester, (9E)- [ACD/Index Name]
(E)-Octadec-9-enoic acid, (S)-2-hexadecanoyloxy-3-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-propyl ester

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

AIDS096412 [DBID]
AIDS-096412 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 809.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.1±6.0 kJ/mol
Flash Point: 225.4±27.8 °C
Index of Refraction: 1.508
Molar Refractivity: 212.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 13.12
ACD/LogD (pH 5.5): 12.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 152 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 712.3±5.0 cm3

Click to predict properties on the Chemicalize site


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