Found 20 results

Search term: C25H42O9 (Found by molecular formula)
ChemSpider 2D Image | 2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(beta-D-galactosyl)-sn-glycerol | C25H42O9

2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(β-D-galactosyl)-sn-glycerol

  • Molecular FormulaC25H42O9
  • Average mass486.596 Da
  • Monoisotopic mass486.282898 Da
  • ChemSpider ID58145808

  • 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

(2R)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-2-propanyl (7Z,10Z,13Z)-7,10,13-hexadecatrienoate [ACD/IUPAC Name]
(2R)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-2-propanyl-(7Z,10Z,13Z)-7,10,13-hexadecatrienoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z)-7,10,13-Hexadécatriénoate de (2R)-1-(β-D-galactopyranosyloxy)-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
2-(7Z,10Z,13Z)-hexadecatrienoyl-3-(β-D-galactosyl)-sn-glycerol
7,10,13-Hexadecatrienoic acid, (1R)-2-(β-D-galactopyranosyloxy)-1-(hydroxymethyl)ethyl ester, (7Z,10Z,13Z)- [ACD/Index Name]
(2R)-1-(β-D-galactopyranosyloxy)-3-hydroxypropan-2-yl (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
2-(7Z,10Z,13Z)-hexadecatrienoyl-3-O-(β-D-galactosyl)-sn-glycerol
  • Miscellaneous

    • Chemical Class:

      A 2-acyl-3-(<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl)-<ital>sn</ital>-glycerol in which the acyl group at the 2 position is specified as (7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo> Z</stereo>)-hexadecatrienoyl. ChEBI CHEBI:90578
      A 2-acyl-3-(beta-D-galactosyl)-sn-glycerol in which the acyl group at the 2 position is specified as (7Z,10Z,13; Z)-hexadecatrienoyl. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90578
      A 2-acyl-3-(beta-D-galactosyl)-sn-glycerol in which the acyl group at the 2 position is specified as (7Z,10Z,13Z)-hexadecatrienoyl. ChEBI CHEBI:90578

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 218.0±25.0 °C
Index of Refraction: 1.547
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 21.07
ACD/KOC (pH 5.5): 308.38
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 21.07
ACD/KOC (pH 7.4): 308.38
Polar Surface Area: 146 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 404.8±5.0 cm3

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