ChemSpider 2D Image | N-[(2S,3R,4E)-1-{[alpha-L-erythro-Hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-L-erythro-hexopyranosyl-(1->4)-alpha-L-erythro-hexopyranosyl-(1->4)-beta-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octadec en-2-yl]docosanamide | C66H122N2O23

N-[(2S,3R,4E)-1-{[α-L-erythro-Hexopyranosyl-(1->3)-2-acetamido-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octadec en-2-yl]docosanamide

  • Molecular FormulaC66H122N2O23
  • Average mass1311.675 Da
  • Monoisotopic mass1310.843872 Da
  • ChemSpider ID24847245

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 22 defined stereocentres

More details:

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

Docosanamide, N-[(1S,2R,3E)-1-[[[O-α-L-erythro-hexopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-O-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranosyl ]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1-{[α-L-erythro-Hexopyranosyl-(1->3)-2-acetamido-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octadec en-2-yl]docosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-L-erythro-Hexopyranosyl-(1->3)-2-acetamido-2-desoxy-α-L-erythro-hexopyranosyl-(1->4)-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranosyl]oxy}-3-hydroxy-4-octade cen-2-yl]docosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-L-érythro-Hexopyranosyl-(1->3)-2-acétamido-2-désoxy-α-L-érythro-hexopyranosyl-(1->4)-α-L-érythro-hexopyranosyl-(1->4)-β-D-thréo-hexopyranosyl]oxy}-3-hydroxy-4-octadé cén-2-yl]docosanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1317.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 223.1±6.0 kJ/mol
Flash Point: 750.6±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 340.4±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 4
ACD/LogP: 11.52
ACD/LogD (pH 5.5): 8.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1360192.00
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1360186.13
Polar Surface Area: 395 Å2
Polarizability: 134.9±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 1043.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement