ChemSpider 2D Image | ALEURITIC ACID METHYL ESTER | C17H34O5

ALEURITIC ACID METHYL ESTER

  • Molecular FormulaC17H34O5
  • Average mass318.449 Da
  • Monoisotopic mass318.240631 Da
  • ChemSpider ID32701511

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9S,10S)-9,10,16-Trihydroxyhexadécanoate de méthyle [French] [ACD/IUPAC Name]
57491-54-0 [RN]
ALEURITIC ACID METHYL ESTER
Hexadecanoic acid, 9,10,16-trihydroxy-, methyl ester, (9S,10S)- [ACD/Index Name]
Methyl (9S,10S)-9,10,16-trihydroxyhexadecanoate [ACD/IUPAC Name]
Methyl-(9S,10S)-9,10,16-trihydroxyhexadecanoat [German] [ACD/IUPAC Name]

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

UNII:XBV9A5RX1G [DBID]
XBV9A5RX1G [DBID]
UNII-XBV9A5RX1G [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: 466.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 158.2±20.8 °C
Index of Refraction: 1.481
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.90
ACD/KOC (pH 5.5): 306.59
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.90
ACD/KOC (pH 7.4): 306.59
Polar Surface Area: 87 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 305.9±3.0 cm3

Click to predict properties on the Chemicalize site


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