ChemSpider 2D Image | C24 Phytoceramide (t18:0/24:0) | C42H85NO4

C24 Phytoceramide (t18:0/24:0)

  • Molecular FormulaC42H85NO4
  • Average mass668.129 Da
  • Monoisotopic mass667.647888 Da
  • ChemSpider ID8637503

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4R)-2-Tetracosanoylamino-1,3,4-octadecanetriol
34437-74-6 [RN]
C24 Phytoceramide (t18:0/24:0)
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]tetracosanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]tetracosanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadécanyl]tétracosanamide [French] [ACD/IUPAC Name]
N-tetracosanoylphytosphingosine
Tetracosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]- [ACD/Index Name]
(2S,3S,4R)-N-tetracosanoyl-2-amino-1,3,4-octadecanetriol
N-tetracosanoyl-4-hydroxysphinganine
More...

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 774.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.6±6.0 kJ/mol
Flash Point: 422.3±32.9 °C
Index of Refraction: 1.479
Molar Refractivity: 204.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 16.81
ACD/LogD (pH 5.5): 15.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 81.2±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 721.4±3.0 cm3

Click to predict properties on the Chemicalize site


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