ChemSpider 2D Image | (2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-alpha-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-alpha-D -glucopyranoside | C59H108N2O21

(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-α-D -glucopyranoside

  • Molecular FormulaC59H108N2O21
  • Average mass1181.490 Da
  • Monoisotopic mass1180.744995 Da
  • ChemSpider ID9172026

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-α-D -glucopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl-(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-α- D-glucopyranosid [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;4)-α-D-glucopyranoside de (2S,3R,4E)-3-hydroxy-2-(stearoylami no)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Octadecanamide, N-[(1S,2R,3E)-1-[[[O-5-(acetylamino)-3,5-dideoxy-D-glycero-β-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-α-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-hep tadecen-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.0 g/cm3
Boiling Point: 1260.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 212.1±0.0 kJ/mol
Flash Point: 715.9±0.0 °C
Index of Refraction: 1.565
Molar Refractivity: 305.2±0.0 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 4
ACD/LogP: 11.23
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 88533.14
ACD/KOC (pH 5.5): 13438.85
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 36532.21
ACD/KOC (pH 7.4): 5545.40
Polar Surface Area: 373 Å2
Polarizability: 121.0±0.0 10-24cm3
Surface Tension: 64.4±0.0 dyne/cm
Molar Volume: 936.6±0.0 cm3

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