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ChemSpider 2D Image | (9Z)-9-Octadecen-1-yl (2R)-2,3-dihydroxypropanoate | C21H40O4

(9Z)-9-Octadecen-1-yl (2R)-2,3-dihydroxypropanoate

  • Molecular FormulaC21H40O4
  • Average mass356.540 Da
  • Monoisotopic mass356.292664 Da
  • ChemSpider ID16744112

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Date of deprecation: 10:10, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(2R)-2,3-Dihydroxypropanoate de (9Z)-9-octadécén-1-yle [French] [ACD/IUPAC Name]
(9Z)-9-Octadecen-1-yl (2R)-2,3-dihydroxypropanoate [ACD/IUPAC Name]
(9Z)-9-Octadecen-1-yl-(2R)-2,3-dihydroxypropanoat [German] [ACD/IUPAC Name]
[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Propanoic acid, 2,3-dihydroxy-, (9Z)-9-octadecen-1-yl ester, (2R)- [ACD/Index Name]
MPG

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

LI7 [DBID]
NSC 62784 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 486.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.6±6.0 kJ/mol
Flash Point: 156.6±13.9 °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: 6.69
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 68560.41
ACD/KOC (pH 5.5): 100749.30
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 68559.58
ACD/KOC (pH 7.4): 100748.08
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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