ChemSpider 2D Image | (2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl 2-acetamido-2-deoxy-alpha-L-erythro-hexopyranosyl-(1->4)-[(4xi)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-glycero-hex-2 -ulopyranonosyl-(2->3)]-alpha-L-erythro-hexopyranosyl-(1->4)-beta-D-threo-hexopyranoside | C65H117N3O26

(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl 2-acetamido-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-[(4ξ)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2 -ulopyranonosyl-(2->3)]-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranoside

  • Molecular FormulaC65H117N3O26
  • Average mass1356.629 Da
  • Monoisotopic mass1355.792480 Da
  • ChemSpider ID24848810

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 23 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl 2-acetamido-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-[(4ξ)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2 -ulopyranonosyl-(2->3)]-α-L-erythro-hexopyranosyl-(1->4)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl-2-acetamido-2-desoxy-α-L-erythro-hexopyranosyl-(1->4)-[(4ξ)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex -2-ulopyranonosyl-(2->3)]-α-L-erythro-hexopyranosyl-(1->;4)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-L-érythro-hexopyranosyl-(1->4)-[(4ξ)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycéro-hex-2-ulopyranonosyl-(2->3)]-α-L-érythro-hexopyranosyl-( 1->;4)-β-D-thréo-hexopyranoside de (2S,3R,4E)-3-hydroxy-2-(palmitoylamino)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Hexadecanamide, N-[(1S,2R,3E)-1-[[[O-2-(acetylamino)-2-deoxy-α-L-erythro-hexopyranosyl-(1->4)-O-[5-(acetylamino)-3,5-dideoxy-α-D-arabino-2-nonulopyranonosyl-(2->3)]-O-α-L-erythro-hexopyran osyl-(1->4)-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: 1.3±0.1 g/cm3
Boiling Point: 1412.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 241.7±6.0 kJ/mol
Flash Point: 807.8±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 341.2±0.4 cm3
#H bond acceptors: 29
#H bond donors: 17
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 4
ACD/LogP: 9.88
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 145.22
ACD/KOC (pH 5.5): 135.55
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 61.22
ACD/KOC (pH 7.4): 57.14
Polar Surface Area: 461 Å2
Polarizability: 135.2±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 1025.7±5.0 cm3

Click to predict properties on the Chemicalize site


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