ChemSpider 2D Image | DG(16:1(9Z)/22:0/0:0) | C41H78O5

DG(16:1(9Z)/22:0/0:0)

  • Molecular FormulaC41H78O5
  • Average mass651.055 Da
  • Monoisotopic mass650.584900 Da
  • ChemSpider ID7822721
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1-[(9Z)-9-Hexadecenoyloxy]-3-hydroxy-2-propanyl docosanoate [ACD/IUPAC Name]
(2S)-1-[(9Z)-9-Hexadecenoyloxy]-3-hydroxy-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
DG(16:1(9Z)/22:0/0:0)
Docosanoate de (2S)-1-[(9Z)-9-hexadecenoyloxy]-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl docosanoate
1-(9Z-hexadecenoyl)-2-docosanoyl-sn-glycerol
1-Palmitoleoyl-2-behenoyl-sn-glycerol
DAG(16:1/22:0)
DAG(16:1n7/22:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010105 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 688.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 187.9±16.7 °C
Index of Refraction: 1.472
Molar Refractivity: 197.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 17.01
ACD/LogD (pH 5.5): 15.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 703.8±3.0 cm3

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