ChemSpider 2D Image | N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]nonadecanamide | C37H75NO4

N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]nonadecanamide

  • Molecular FormulaC37H75NO4
  • Average mass597.996 Da
  • Monoisotopic mass597.569580 Da
  • ChemSpider ID4479727

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]nonadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]nonadecanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadécanyl]nonadécanamide [French] [ACD/IUPAC Name]
Nonadecanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
(2S,3S,4R)-2-nonadecanoylaminooctadecane-1,3,4-triol
Cer(t18:0/19:0)
Cer[NP]
N-(nonadecanoyl)-4R-hydroxysphinganine
N-(nonadecanoyl)-phytoceramide
pregn-5,20-dien-3B-ol-3OBDxylopyranoside
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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: 730.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 395.6±32.9 °C
Index of Refraction: 1.480
Molar Refractivity: 181.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.16
ACD/LogD (pH 5.5): 13.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 638.9±3.0 cm3

Click to predict properties on the Chemicalize site


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