ChemSpider 2D Image | N-octodecanoylsphinganine | C36H73NO3

N-octodecanoylsphinganine

  • Molecular FormulaC36H73NO3
  • Average mass567.970 Da
  • Monoisotopic mass567.559021 Da
  • ChemSpider ID4446686

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

100403-19-8 [RN]
2304-80-5 [RN]
309-560-3 [EINECS]
C18 dihydro Ceramide (d18:0/18:0)
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]octadecanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]octadécanamide [French] [ACD/IUPAC Name]
N-octodecanoylsphinganine
Octadecanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
21481-56-1 [RN]
More...

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

8AD8CNQ956 [DBID]
C04977SRJ5 [DBID]
UNII:C04977SRJ5 [DBID]
LMSP02020008 [DBID]
UNII:8AD8CNQ956 [DBID]
UNII-8AD8CNQ956 [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: 694.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 374.0±28.7 °C
Index of Refraction: 1.474
Molar Refractivity: 175.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 14.53
ACD/LogD (pH 5.5): 13.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 624.5±3.0 cm3

Click to predict properties on the Chemicalize site


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