ChemSpider 2D Image | N-(octadecanoyl)-4-hydroxyeicosasphinganine | C38H77NO4

N-(octadecanoyl)-4-hydroxyeicosasphinganine

  • Molecular FormulaC38H77NO4
  • Average mass612.022 Da
  • Monoisotopic mass611.585266 Da
  • ChemSpider ID28533094

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-(octadecanoyl)-4-hydroxyeicosasphinganine
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-icosanyl]octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-icosanyl]octadecanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-icosanyl]octadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)nonadecyl]- [ACD/Index Name]
Cer(t20:0/18:0)
Cer[NP]
N-(octadecanoyl)-4-hydroxyicosasphinganine
N-(octadecanoyl)-4R-hydroxy-eicosasphinganine
N-(stearoyl)-4-hydroxyeicosasphinganine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 739.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.1±6.0 kJ/mol
Flash Point: 401.0±32.9 °C
Index of Refraction: 1.480
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 14.69
ACD/LogD (pH 5.5): 13.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 655.4±3.0 cm3

Click to predict properties on the Chemicalize site


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