ChemSpider 2D Image | N-nonadecanoyl-4-hydroxy-15-methylhexadecasphinganine | C36H73NO4

N-nonadecanoyl-4-hydroxy-15-methylhexadecasphinganine

  • Molecular FormulaC36H73NO4
  • Average mass583.969 Da
  • Monoisotopic mass583.553955 Da
  • ChemSpider ID30785603

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-[(2S,3S,4R)-1,3,4-Trihydroxy-15-methyl-2-hexadecanyl]nonadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-15-methyl-2-hexadecanyl]nonadecanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-15-méthyl-2-hexadécanyl]nonadécanamide [French] [ACD/IUPAC Name]
N-nonadecanoyl-4-hydroxy-15-methylhexadecasphinganine
Nonadecanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)-14-methylpentadecyl]- [ACD/Index Name]
N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]nonadecanamide
N-nonadecanoyl-4-hydroxy-15-methylhexadecahydrosphingosine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 718.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.9±6.0 kJ/mol
Flash Point: 388.1±32.9 °C
Index of Refraction: 1.480
Molar Refractivity: 176.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 13.44
ACD/LogD (pH 5.5): 11.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 622.7±3.0 cm3

Click to predict properties on the Chemicalize site


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