ChemSpider 2D Image | N-(2-hydroxydocosanoyl)-4-hydroxyeicosasphinganine | C42H85NO5

N-(2-hydroxydocosanoyl)-4-hydroxyeicosasphinganine

  • Molecular FormulaC42H85NO5
  • Average mass684.128 Da
  • Monoisotopic mass683.642761 Da
  • ChemSpider ID28533078

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-icosanyl]docosanamid [German] [ACD/IUPAC Name]
2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-icosanyl]docosanamide [ACD/IUPAC Name]
2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-icosanyl]docosanamide [French] [ACD/IUPAC Name]
Docosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)nonadecyl]-2-hydroxy- [ACD/Index Name]
N-(2-hydroxydocosanoyl)-4-hydroxyeicosasphinganine
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyicosan-2-yl]docosanamide
Cer(t20:0/22:0(2OH))
Cer[AP]
N-(2-hydroxydocosanoyl)-4-hydroxyicosasphinganine
N-(2-hydroxydocosanoyl)-4R-hydroxyeicosasphinganine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 799.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.4±6.0 kJ/mol
Flash Point: 437.2±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 206.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 16.30
ACD/LogD (pH 5.5): 14.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 110 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 719.3±3.0 cm3

Click to predict properties on the Chemicalize site


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