ChemSpider 2D Image | (2S,3R)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]octadecyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucop yranoside | C59H108N2O21

(2S,3R)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]octadecyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-glucop yranoside

  • Molecular FormulaC59H108N2O21
  • Average mass1181.490 Da
  • Monoisotopic mass1180.744507 Da
  • ChemSpider ID76003962

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 18 defined stereocentres

More details:

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

(2S,3R)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]octadecyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->;3)-β-D-galactopyranosyl-(1->4)-β-D-glucop yranoside [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]octadecyl-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-gluco pyranosid [German] [ACD/IUPAC Name]
5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside de (2S,3R)-3-hydroxy-2-[(9Z)-9-octadecenoylam ino]octadécyle [French] [ACD/IUPAC Name]
9-Octadecenamide, N-[(1S,2R)-1-[[[O(6ξ)-5-(acetylamino)-3,5-dideoxy-α-D-gluco-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxyheptadecyl]-, (9Z)- [ACD/Index 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: 1260.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 212.1±6.0 kJ/mol
Flash Point: 715.9±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 305.2±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 10.84
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 611.95
ACD/KOC (pH 5.5): 382.49
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 251.24
ACD/KOC (pH 7.4): 157.03
Polar Surface Area: 373 Å2
Polarizability: 121.0±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 936.6±5.0 cm3

Click to predict properties on the Chemicalize site


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