ChemSpider 2D Image | N-[(2S,3R,4E)-1-{[4-O-(beta-D-threo-Hexopyranosyl)-beta-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamide | C48H91NO13

N-[(2S,3R,4E)-1-{[4-O-(β-D-threo-Hexopyranosyl)-β-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamide

  • Molecular FormulaC48H91NO13
  • Average mass890.235 Da
  • Monoisotopic mass889.649048 Da
  • ChemSpider ID24846907

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 12 defined stereocentres

More details:

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

N-[(2S,3R,4E)-1-{[4-O-(β-D-threo-Hexopyranosyl)-β-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[4-O-(β-D-threo-Hexopyranosyl)-β-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[4-O-(β-D-thréo-Hexopyranosyl)-β-D-thréo-hexopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]octadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E)-1-[[(4-O-β-D-threo-hexopyranosyl-β-D-threo-hexopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [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: 1001.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.5±6.0 kJ/mol
Flash Point: 559.4±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 242.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 12.25
ACD/LogD (pH 5.5): 10.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9396698.00
ACD/LogD (pH 7.4): 10.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9396553.00
Polar Surface Area: 228 Å2
Polarizability: 96.3±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 776.2±5.0 cm3

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