ChemSpider 2D Image | N-(2-hydroxytricontanoyl)phytosphingosine | C48H97NO5

N-(2-hydroxytricontanoyl)phytosphingosine

  • Molecular FormulaC48H97NO5
  • Average mass768.287 Da
  • Monoisotopic mass767.736694 Da
  • ChemSpider ID34999335

  • 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-octadecanyl]triacontanamid [German] [ACD/IUPAC Name]
2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]triacontanamide [ACD/IUPAC Name]
2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadécanyl]triacontanamide [French] [ACD/IUPAC Name]
N-(2-hydroxytricontanoyl)phytosphingosine
Triacontanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-2-hydroxy- [ACD/Index Name]
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]triacontanamide
Cer(t18:0/30:0(2OH))
Cer[AP]
N-(2-hydroxytriacontanoyl)-4R-hydroxysphinganine
N-(2'-hydroxytriacontanoyl)-D-erythro-l,3,4-trihydroxy-2-amino-octadecane,
More...

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

Density: 0.9±0.1 g/cm3
Boiling Point: 848.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.2±6.0 kJ/mol
Flash Point: 467.0±34.3 °C
Index of Refraction: 1.484
Molar Refractivity: 234.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 3
ACD/LogP: 19.49
ACD/LogD (pH 5.5): 17.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 110 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 818.3±3.0 cm3

Click to predict properties on the Chemicalize site


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