ChemSpider 2D Image | N-(2-hydroxyheptadecanoyl)-4-hydroxy-15-methylhexadecasphinganine | C34H69NO5

N-(2-hydroxyheptadecanoyl)-4-hydroxy-15-methylhexadecasphinganine

  • Molecular FormulaC34H69NO5
  • Average mass571.915 Da
  • Monoisotopic mass571.517578 Da
  • ChemSpider ID30785602
  • 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-15-methyl-2-hexadecanyl]heptadecanamid [German] [ACD/IUPAC Name]
2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methyl-2-hexadecanyl]heptadecanamide [ACD/IUPAC Name]
2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-méthyl-2-hexadécanyl]heptadécanamide [French] [ACD/IUPAC Name]
Heptadecanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)-14-methylpentadecyl]-2-hydroxy- [ACD/Index Name]
N-(2-hydroxyheptadecanoyl)-4-hydroxy-15-methylhexadecasphinganine
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]heptadecanamide
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74191
N-(2-hydroxyheptadecanoyl)-4-hydroxy-15-methylhexadecahydrosphingosine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 727.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.487
Molar Refractivity: 169.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 11.86
ACD/LogD (pH 5.5): 10.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8747271.00
ACD/LogD (pH 7.4): 10.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8747233.00
Polar Surface Area: 110 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 587.6±3.0 cm3

Click to predict properties on the Chemicalize site






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