ChemSpider 2D Image | Ethyl (2S,3S)-2-amino-3-hydroxyoctadecanoate | C20H41NO3

Ethyl (2S,3S)-2-amino-3-hydroxyoctadecanoate

  • Molecular FormulaC20H41NO3
  • Average mass343.544 Da
  • Monoisotopic mass343.308655 Da
  • ChemSpider ID32698173

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-Amino-3-hydroxyoctadécanoate d'éthyle [French] [ACD/IUPAC Name]
(2S,3S)-ethyl 2-amino-3-hydroxy-octadecanoate
67113-22-8 [RN]
Ethyl (2S,3S)-2-amino-3-hydroxyoctadecanoate [ACD/IUPAC Name]
Ethyl-(2S,3S)-2-amino-3-hydroxyoctadecanoat [German] [ACD/IUPAC Name]
Octadecanoic acid, 2-amino-3-hydroxy-, ethyl ester, (2S,3S)- [ACD/Index Name]
ETHYL 2-AMINO-3-HYDROXY-OCTADECANOATE, (2S,3S)-

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

70S60XLG58 [DBID]
UNII:70S60XLG58 [DBID]
UNII-70S60XLG58 [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: 459.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 231.9±23.2 °C
Index of Refraction: 1.469
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 610.30
ACD/KOC (pH 5.5): 955.15
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 24915.17
ACD/KOC (pH 7.4): 38993.48
Polar Surface Area: 73 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 364.1±3.0 cm3

Click to predict properties on the Chemicalize site


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