Found 16 results

Search term: MF = 'C_{44}H_{87}NO_{5}'
ChemSpider 2D Image | 2-Hydroxy-N-[(2S,3R,4E,6R)-1,3,6-trihydroxy-4-octadecen-2-yl]hexacosanamide | C44H87NO5

2-Hydroxy-N-[(2S,3R,4E,6R)-1,3,6-trihydroxy-4-octadecen-2-yl]hexacosanamide

  • Molecular FormulaC44H87NO5
  • Average mass710.165 Da
  • Monoisotopic mass709.658447 Da
  • ChemSpider ID113381225

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Hydroxy-N-[(2S,3R,4E,6R)-1,3,6-trihydroxy-4-octadecen-2-yl]hexacosanamid [German] [ACD/IUPAC Name]
2-Hydroxy-N-[(2S,3R,4E,6R)-1,3,6-trihydroxy-4-octadecen-2-yl]hexacosanamide [ACD/IUPAC Name]
2-Hydroxy-N-[(2S,3R,4E,6R)-1,3,6-trihydroxy-4-octadécén-2-yl]hexacosanamide [French] [ACD/IUPAC Name]
Hexacosanamide, N-[(1S,2R,3E,5R)-2,5-dihydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-2-hydroxy- [ACD/Index Name]
Cer(t18:1(6OH)/26:0(2OH))
Cer[AH]
N-(2-hydroxyhexacosanoyl)-6R-hydroxy-sphing-4E-enine
N-(2-hydroxyhexacosanoyl)-hydroxyceramide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 818.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.4±6.0 kJ/mol
Flash Point: 448.9±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: 16.39
ACD/LogD (pH 5.5): 14.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.68
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

Click to predict properties on the Chemicalize site


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