ChemSpider 2D Image | 3-(beta-D-Galactopyranosyloxy)-1,2-propanediyl (7Z,10Z,13Z,7'Z,10'Z,13'Z)bis(-7,10,13-hexadecatrienoate) | C41H66O10

3-(β-D-Galactopyranosyloxy)-1,2-propanediyl (7Z,10Z,13Z,7'Z,10'Z,13'Z)bis(-7,10,13-hexadecatrienoate)

  • Molecular FormulaC41H66O10
  • Average mass718.957 Da
  • Monoisotopic mass718.465576 Da
  • ChemSpider ID9702539

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(7Z,10Z,13Z,7'Z,10'Z,13'Z)Bis(-7,10,13-hexadécatriénoate) de 3-(β-D-galactopyranosyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
3-(β-D-Galactopyranosyloxy)-1,2-propandiyl-(7Z,10Z,13Z,7'Z,10'Z,13'Z)bis(-7,10,13-hexadecatrienoat) [German] [ACD/IUPAC Name]
3-(β-D-Galactopyranosyloxy)-1,2-propanediyl (7Z,10Z,13Z,7'Z,10'Z,13'Z)bis(-7,10,13-hexadecatrienoate) [ACD/IUPAC Name]
7,10,13-Hexadecatrienoic acid, 1-[(β-D-galactopyranosyloxy)methyl]-1,2-ethanediyl ester, (7Z,10Z,13Z,7'Z,10'Z,13'Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 793.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±6.0 kJ/mol
Flash Point: 226.8±26.4 °C
Index of Refraction: 1.539
Molar Refractivity: 202.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 166116.67
ACD/KOC (pH 5.5): 189822.83
ACD/LogD (pH 7.4): 7.17
ACD/BCF (pH 7.4): 166115.58
ACD/KOC (pH 7.4): 189821.58
Polar Surface Area: 152 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 646.9±5.0 cm3

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