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Search term: 29330374 (Found by CSID)
ChemSpider 2D Image | (2S,3R)-2-Acetamido-3-hydroxyoctadecyl acetate | C22H43NO4

(2S,3R)-2-Acetamido-3-hydroxyoctadecyl acetate

  • Molecular FormulaC22H43NO4
  • Average mass385.581 Da
  • Monoisotopic mass385.319214 Da
  • ChemSpider ID29330374

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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(2S,3R)-2-Acetamido-3-hydroxyoctadecyl acetate [ACD/IUPAC Name]
(2S,3R)-2-Acetamido-3-hydroxyoctadecyl-acetat [German] [ACD/IUPAC Name]
Acetamide, N-[(1S,2R)-1-[(acetyloxy)methyl]-2-hydroxyheptadecyl]- [ACD/Index Name]
Acétate de (2S,3R)-2-acétamido-3-hydroxyoctadécyle [French] [ACD/IUPAC Name]
1,2-diacetylsphingosine
N,O-diacetyl sphinganine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 519.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 268.2±27.3 °C
Index of Refraction: 1.467
Molar Refractivity: 110.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 101175.97
ACD/KOC (pH 5.5): 133110.78
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 101175.97
ACD/KOC (pH 7.4): 133110.78
Polar Surface Area: 76 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 399.4±3.0 cm3

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