Found 16 results

Search term: MF = 'C_{44}H_{87}NO_{5}'
ChemSpider 2D Image | (2R)-2-Hydroxy-N-[(2S,3S,4R,8E)-1,3,4-trihydroxy-8-octadecen-2-yl]hexacosanamide | C44H87NO5

(2R)-2-Hydroxy-N-[(2S,3S,4R,8E)-1,3,4-trihydroxy-8-octadecen-2-yl]hexacosanamide

  • Molecular FormulaC44H87NO5
  • Average mass710.165 Da
  • Monoisotopic mass709.658447 Da
  • ChemSpider ID113381293

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-Hydroxy-N-[(2S,3S,4R,8E)-1,3,4-trihydroxy-8-octadecen-2-yl]hexacosanamid [German] [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-[(2S,3S,4R,8E)-1,3,4-trihydroxy-8-octadecen-2-yl]hexacosanamide [ACD/IUPAC Name]
(2R)-2-Hydroxy-N-[(2S,3S,4R,8E)-1,3,4-trihydroxy-8-octadécén-2-yl]hexacosanamide [French] [ACD/IUPAC Name]
Hexacosanamide, N-[(1S,2S,3R,7E)-2,3-dihydroxy-1-(hydroxymethyl)-7-heptadecen-1-yl]-2-hydroxy-, (2R)- [ACD/Index Name]
(2S, 3S, 4R, 8E)-2N-[(2R)-2-hydroxyhexacosanoyl] -1, 3, 4-trihydroxy-8-octadecene
Cer(t18:1(8E)/26:0(2OH[R]))
N-(2R-hydroxyhexacosanoyl)-4R-hydroxy-8E-octadecasphingenine
N-2R-hydroxyhexacosanoyl-4R-hydroxy-8E-sphingaenine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.0±6.0 kJ/mol
Flash Point: 447.2±34.3 °C
Index of Refraction: 1.490
Molar Refractivity: 215.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 16.91
ACD/LogD (pH 5.5): 14.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 110 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 745.9±3.0 cm3

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