ChemSpider 2D Image | (2r)-3-{[(2r)-2-Amino-3-Hydroxypropyl]thio}propane-1,2-Diyl Dihexadecanoate | C38H75NO5S

(2r)-3-{[(2r)-2-Amino-3-Hydroxypropyl]thio}propane-1,2-Diyl Dihexadecanoate

  • Molecular FormulaC38H75NO5S
  • Average mass658.071 Da
  • Monoisotopic mass657.536621 Da
  • ChemSpider ID25058024

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-{[(2R)-2-Amino-3-hydroxypropyl]sulfanyl}-1,2-propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
(2R)-3-{[(2R)-2-Amino-3-hydroxypropyl]sulfanyl}-1,2-propanediyl dihexadecanoate [ACD/IUPAC Name]
(2r)-3-{[(2r)-2-Amino-3-Hydroxypropyl]thio}propane-1,2-Diyl Dihexadecanoate
Dihexadécanoate de (2R)-3-{[(2R)-2-amino-3-hydroxypropyl]sulfanyl}-1,2-propanediyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, (1R)-2-[[(2R)-2-amino-3-hydroxypropyl]thio]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 711.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 384.2±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 194.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.91
ACD/LogD (pH 5.5): 11.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2045994.75
ACD/LogD (pH 7.4): 12.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 124 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 678.7±3.0 cm3

Click to predict properties on the Chemicalize site


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