ChemSpider 2D Image | (2R,3S,4R)-2-Amino-3,4-dihydroxyoctadecyl stearate | C36H73NO4

(2R,3S,4R)-2-Amino-3,4-dihydroxyoctadecyl stearate

  • Molecular FormulaC36H73NO4
  • Average mass583.969 Da
  • Monoisotopic mass583.553955 Da
  • ChemSpider ID8407488

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S,4R)-2-Amino-3,4-dihydroxyoctadecyl stearate [ACD/IUPAC Name]
(2R,3S,4R)-2-Amino-3,4-dihydroxyoctadecylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (2R,3S,4R)-2-amino-3,4-dihydroxyoctadecyl ester [ACD/Index Name]
Stéarate de (2R,3S,4R)-2-amino-3,4-dihydroxyoctadécyle [French] [ACD/IUPAC 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: 668.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 358.1±31.5 °C
Index of Refraction: 1.478
Molar Refractivity: 177.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.70
ACD/LogD (pH 5.5): 10.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1329841.25
ACD/LogD (pH 7.4): 12.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 626.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement