Found 5 results

Search term: IIPIJHXZZCPSGV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Hydroxy-3-(stearoyloxy)(~2~H_5_)propyl (9Z)-9-octadecenoate | C39H69D5O5

2-Hydroxy-3-(stearoyloxy)(2H5)propyl (9Z)-9-octadecenoate

  • Molecular FormulaC39H69D5O5
  • Average mass628.033 Da
  • Monoisotopic mass627.585022 Da
  • ChemSpider ID58784615

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(9Z)-9-Octadécénoate de 2-hydroxy-3-(stearoyloxy)(2H5)propyle [French] [ACD/IUPAC Name]
2-Hydroxy-3-(stearoyloxy)(2H5)propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
2-Hydroxy-3-(stearoyloxy)(2H5)propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl-1,1,2,3,3-d5 ester, (9Z)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 675.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 187.5±16.7 °C
Index of Refraction: 1.472
Molar Refractivity: 187.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.95
ACD/LogD (pH 5.5): 14.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 670.8±3.0 cm3

Click to predict properties on the Chemicalize site


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