ChemSpider 2D Image | (2S)-2-(Docosanoyloxy)-3-hydroxypropyl (13Z)-13-docosenoate | C47H90O5

(2S)-2-(Docosanoyloxy)-3-hydroxypropyl (13Z)-13-docosenoate

  • Molecular FormulaC47H90O5
  • Average mass735.214 Da
  • Monoisotopic mass734.678833 Da
  • ChemSpider ID24766310

  • 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

(13Z)-13-Docosénoate de (2S)-2-(docosanoyloxy)-3-hydroxypropyle [French] [ACD/IUPAC Name]
(2S)-2-(Docosanoyloxy)-3-hydroxypropyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2S)-2-(Docosanoyloxy)-3-hydroxypropyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (2S)-3-hydroxy-2-[(1-oxodocosyl)oxy]propyl ester, (13Z)- [ACD/Index Name]
(2S)-2-(docosanoyloxy)-3-hydroxypropyl (13Z)-docos-13-enoate
1-Erucoyl-2-behenoyl-sn-glycerol
DAG(22:1/22:0)
DAG(22:1n9/22:0)
DAG(22:1w9/22:0)
DAG(44:1)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 739.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.1±6.0 kJ/mol
Flash Point: 194.6±17.2 °C
Index of Refraction: 1.472
Molar Refractivity: 224.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 20.20
ACD/LogD (pH 5.5): 18.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.09
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 802.8±3.0 cm3

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