ChemSpider 2D Image | (2S)-3-(beta-D-threo-Hexopyranosyloxy)-1,2-propanediyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoate) | C45H74O10

(2S)-3-(β-D-threo-Hexopyranosyloxy)-1,2-propanediyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoate)

  • Molecular FormulaC45H74O10
  • Average mass775.063 Da
  • Monoisotopic mass774.528198 Da
  • ChemSpider ID4696840
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres


More details:






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

(2S)-3-(β-D-threo-Hexopyranosyloxy)-1,2-propandiyl-(9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoat) [German] [ACD/IUPAC Name]
(2S)-3-(β-D-threo-Hexopyranosyloxy)-1,2-propanediyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoate) [ACD/IUPAC Name]
(9Z,12Z,15Z,9'Z,12'Z,15'Z)Bis(-9,12,15-octadécatriénoate) de (2S)-3-(β-D-thréo-hexopyranosyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1S)-2-(β-D-threo-hexopyranosyloxy)-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
1,2 di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-β-D-galactosyl-sn-glycerol

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

LMGL05010001 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 825.8±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: 230.1±27.8 °C
Index of Refraction: 1.534
Molar Refractivity: 221.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 11.27
ACD/LogD (pH 5.5): 8.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1556717.25
ACD/LogD (pH 7.4): 8.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1556706.88
Polar Surface Area: 152 Å2
Polarizability: 87.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 710.9±5.0 cm3

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