ChemSpider 2D Image | N-docosanoylsphinganine | C40H81NO3

N-docosanoylsphinganine

  • Molecular FormulaC40H81NO3
  • Average mass624.076 Da
  • Monoisotopic mass623.621643 Da
  • ChemSpider ID4446688

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Docosanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]docosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]docosanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]docosanamide [French] [ACD/IUPAC Name]
N-docosanoylsphinganine
147492-65-7 [RN]
C22 Dihydroceramide
C22DH Cer
C22Dihydroceramide
Cer(d18:0/22:0)
More...

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

LMSP02020010 [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: 732.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.0±6.0 kJ/mol
Flash Point: 396.6±30.1 °C
Index of Refraction: 1.474
Molar Refractivity: 194.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 16.65
ACD/LogD (pH 5.5): 15.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 690.5±3.0 cm3

Click to predict properties on the Chemicalize site


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