ChemSpider 2D Image | (1Z,2S)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanimidic acid | C42H85NO5

(1Z,2S)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanimidic acid

  • Molecular FormulaC42H85NO5
  • Average mass684.128 Da
  • Monoisotopic mass683.642761 Da
  • ChemSpider ID58837720

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1Z,2S)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanimidic acid [ACD/IUPAC Name]
(1Z,2S)-2-Hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadecanyl]tetracosanimidsäure [German] [ACD/IUPAC Name]
154801-34-0 [RN]
Acide (1Z,2S)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxy-2-octadécanyl]tétracosanimidique [French] [ACD/IUPAC Name]
Tetracosanimidic acid, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-2-hydroxy-, (1Z,2S)- [ACD/Index Name]
(2S)-N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-2-hydroxy-tetracosanamide
C24 (2’(S)-hydroxy) Phytoceramide (t18:0/24:0)
ceramide C (C24)
ceramide-3 (C24)
N-(2-hydroxytetracosanoyl)-4-hydroxysphinganine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 780.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.5±6.0 kJ/mol
Flash Point: 548.5±24.9 °C
Index of Refraction: 1.495
Molar Refractivity: 203.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 16.55
ACD/LogD (pH 5.5): 13.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 114 Å2
Polarizability: 80.5±0.5 10-24cm3
Surface Tension: 36.2±7.0 dyne/cm
Molar Volume: 696.6±7.0 cm3

Click to predict properties on the Chemicalize site


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