ChemSpider 2D Image | N-dodecanoylsphinganine | C30H61NO3

N-dodecanoylsphinganine

  • Molecular FormulaC30H61NO3
  • Average mass483.810 Da
  • Monoisotopic mass483.465149 Da
  • ChemSpider ID24765761

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Dodecanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]dodecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]dodecanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]dodécanamide [French] [ACD/IUPAC Name]
N-dodecanoylsphinganine
197302-96-8 [RN]
C12 Dihydroceramide (d18:0/12:0)
C12:0 DHCer
Cer(d18:0/12:0)
N-(dodecanoyl)-sphinganine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 636.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±6.0 kJ/mol
Flash Point: 338.6±28.7 °C
Index of Refraction: 1.474
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 1
ACD/LogP: 11.34
ACD/LogD (pH 5.5): 10.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 525.4±3.0 cm3

Click to predict properties on the Chemicalize site


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