ChemSpider 2D Image | (1Z,2S)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-2-hydroxyhexacosanimidic acid | C44H89NO4

(1Z,2S)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-2-hydroxyhexacosanimidic acid

  • Molecular FormulaC44H89NO4
  • Average mass696.182 Da
  • Monoisotopic mass695.679138 Da
  • ChemSpider ID58837713

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1Z,2S)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-2-hydroxyhexacosanimidic acid [ACD/IUPAC Name]
(1Z,2S)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-2-hydroxyhexacosanimidsäure [German] [ACD/IUPAC Name]
Acide (1Z,2S)-N-[(2S,3R)-1,3-dihydroxy-2-octadécanyl]-2-hydroxyhexacosanimidique [French] [ACD/IUPAC Name]
Hexacosanimidic acid, 2-hydroxy-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-, (1Z,2S)- [ACD/Index Name]
N-(2-hydroxyhexacosanoyl)sphinganine
N-(2-hydroxytetracosanyl)-dihydrosphingosine
cer2'_26
ceramide B' (C26)
ceramide-2' (C26)
ceramide-2' (sphinganine:N-C26:2OH)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 767.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 538.1±24.9 °C
Index of Refraction: 1.490
Molar Refractivity: 211.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 18.65
ACD/LogD (pH 5.5): 15.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 35.1±7.0 dyne/cm
Molar Volume: 731.5±7.0 cm3

Click to predict properties on the Chemicalize site


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