Found 7 results

Search term: MF = 'C_{42}H_{83}NO_{9}'
ChemSpider 2D Image | N-{(2S,3S,4R)-1-[(6-Deoxy-alpha-L-gulopyranosyl)oxy]-3,4-dihydroxy-2-octadecanyl}-2-hydroxyoctadecanamide | C42H83NO9

N-{(2S,3S,4R)-1-[(6-Deoxy-α-L-gulopyranosyl)oxy]-3,4-dihydroxy-2-octadecanyl}-2-hydroxyoctadecanamide

  • Molecular FormulaC42H83NO9
  • Average mass746.110 Da
  • Monoisotopic mass745.606812 Da
  • ChemSpider ID24665790

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

N-{(2S,3S,4R)-1-[(6-Deoxy-α-L-gulopyranosyl)oxy]-3,4-dihydroxy-2-octadecanyl}-2-hydroxyoctadecanamide [ACD/IUPAC Name]
N-{(2S,3S,4R)-1-[(6-Desoxy-α-L-gulopyranosyl)oxy]-3,4-dihydroxy-2-octadecanyl}-2-hydroxyoctadecanamid [German] [ACD/IUPAC Name]
N-{(2S,3S,4R)-1-[(6-Désoxy-α-L-gulopyranosyl)oxy]-3,4-dihydroxy-2-octadécanyl}-2-hydroxyoctadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2S,3R)-1-[[(6-deoxy-α-L-gulopyranosyl)oxy]methyl]-2,3-dihydroxyheptadecyl]-2-hydroxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 879.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.2±6.0 kJ/mol
Flash Point: 485.8±34.3 °C
Index of Refraction: 1.516
Molar Refractivity: 210.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 4
ACD/LogP: 14.37
ACD/LogD (pH 5.5): 11.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 169 Å2
Polarizability: 83.5±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 698.0±5.0 cm3

Click to predict properties on the Chemicalize site


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