ChemSpider 2D Image | (2S)-1-[(9Z)-9-Heptadecenoyloxy]-3-hydroxy-2-propanyl (9Z,12Z)-9,12-heptadecadienoate | C37H66O5

(2S)-1-[(9Z)-9-Heptadecenoyloxy]-3-hydroxy-2-propanyl (9Z,12Z)-9,12-heptadecadienoate

  • Molecular FormulaC37H66O5
  • Average mass590.917 Da
  • Monoisotopic mass590.491028 Da
  • ChemSpider ID7822642

  • 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-Heptadecenoyloxy]-3-hydroxy-2-propanyl (9Z,12Z)-9,12-heptadecadienoate [ACD/IUPAC Name]
(2S)-1-[(9Z)-9-Heptadecenoyloxy]-3-hydroxy-2-propanyl-(9Z,12Z)-9,12-heptadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Heptadécadiénoate de (2S)-1-[(9Z)-9-heptadecenoyloxy]-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
9,12-Heptadecadienoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-heptadecen-1-yl]oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
1-(9Z-heptadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol
DG(17:1(9Z)/17:2(9Z,12Z)/0:0)[iso2]
DG(17:1/17:2/0:0)[iso2]
DG(17:1_17:2)
DG(34:3)

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

LMGL02010024 [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: 649.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±6.0 kJ/mol
Flash Point: 183.4±22.2 °C
Index of Refraction: 1.484
Molar Refractivity: 178.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.85
ACD/LogD (pH 5.5): 11.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 625.0±3.0 cm3

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