ChemSpider 2D Image | N-pentacosanoyl-15-methylhexadecasphinganine | C42H85NO3

N-pentacosanoyl-15-methylhexadecasphinganine

  • Molecular FormulaC42H85NO3
  • Average mass652.129 Da
  • Monoisotopic mass651.652954 Da
  • ChemSpider ID31150304

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(2S,3R)-1,3-Dihydroxy-15-methyl-2-hexadecanyl]pentacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-15-methyl-2-hexadecanyl]pentacosanamide [ACD/IUPAC Name]
N-[(2S,3R)-1,3-Dihydroxy-15-méthyl-2-hexadécanyl]pentacosanamide [French] [ACD/IUPAC Name]
N-pentacosanoyl-15-methylhexadecasphinganine
Pentacosanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-14-methylpentadecyl]- [ACD/Index Name]
Cer 42:0
N-[(2S,3R)-1,3-dihydroxy-15-methylhexadecan-2-yl]pentacosanamide
N-pentacosanoyl-15-methylhexadecadihydrosphingosine

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

2 [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: 747.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.3±6.0 kJ/mol
Flash Point: 405.8±30.1 °C
Index of Refraction: 1.473
Molar Refractivity: 203.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 17.53
ACD/LogD (pH 5.5): 15.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 723.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement