ChemSpider 2D Image | 1,3-Dihydroxy(~2~H_5_)-2-propanyl (9Z)-9-octadecenoate | C21H35D5O4

1,3-Dihydroxy(2H5)-2-propanyl (9Z)-9-octadecenoate

  • Molecular FormulaC21H35D5O4
  • Average mass361.571 Da
  • Monoisotopic mass361.324036 Da
  • ChemSpider ID48061987

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(9Z)-9-Octadécénoate de 1,3-dihydroxy(2H5)-2-propanyle [French] [ACD/IUPAC Name]
1,3-Dihydroxy(2H5)-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
1,3-Dihydroxy(2H5)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
2-Hydroxy-1-(hydroxymethyl-d2)ethyl-1,2,2-d3 (9Z)-9-octadecenoate
946524-37-4 [RN]
9-Octadecenoic acid, 2-hydroxy-1-(hydroxymethyl-d2)ethyl-1,2,2-d3 ester, (9Z)- [ACD/Index Name]
(1,1,2,3,3-pentadeuterio-1,3-dihydroxypropan-2-yl) (Z)-octadec-9-enoate
1,3-Dihydroxy(2H5)propan-2-yl (9Z)-octadec-9-enoate
2-Oleoyl Glycerol-d5

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

Density: 1.0±0.1 g/cm3
Boiling Point: 485.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 156.3±19.4 °C
Index of Refraction: 1.479
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 61568.64
ACD/KOC (pH 5.5): 93283.48
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 61568.57
ACD/KOC (pH 7.4): 93283.38
Polar Surface Area: 67 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 367.7±3.0 cm3

Click to predict properties on the Chemicalize site


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