ChemSpider 2D Image | (2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-octadecen-1-yl 5-acetamido-3,5-dideoxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3) -2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-mannopyranoside | C81H145N3O31

(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-octadecen-1-yl 5-acetamido-3,5-dideoxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3) -2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-mannopyranoside

  • Molecular FormulaC81H145N3O31
  • Average mass1657.020 Da
  • Monoisotopic mass1655.986206 Da
  • ChemSpider ID76003835

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 27 of 28 defined stereocentres

More details:

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

(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-octadecen-1-yl 5-acetamido-3,5-dideoxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3) ;-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-mannopyranoside [ACD/IUPAC Name]
(2S,3R,4E)-2-[(17Z)-17-Hexacosenoylamino]-3-hydroxy-4-octadecen-1-yl-5-acetamido-3,5-didesoxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3 ;)-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosid [German] [ACD/IUPAC Name]
17-Hexacosenamide, N-[(1S,2R,3E)-1-[[[O(6ξ)-5-(acetylamino)-3,5-dideoxy-β-L-altro-2-nonulopyranonosyl-(2->3)-O-[O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1- >;4)]-O-β-D-galactopyranosyl-(1->4)-β-D-mannopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, (17Z)- [ACD/Index Name]
5-Acétamido-3,5-didésoxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)]-β-D-galacto pyranosyl-(1->4)-β-D-mannopyranoside de (2S,3R,4E)-2-[(17Z)-17-hexacosenoylamino]-3-hydroxy-4-octadécén-1-yle [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: 1549.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 269.7±6.0 kJ/mol
Flash Point: 890.8±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 421.1±0.4 cm3
#H bond acceptors: 34
#H bond donors: 20
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 4
ACD/LogP: 12.14
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 1929.83
ACD/KOC (pH 5.5): 863.49
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 813.78
ACD/KOC (pH 7.4): 364.12
Polar Surface Area: 541 Å2
Polarizability: 166.9±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 1259.7±5.0 cm3

Click to predict properties on the Chemicalize site


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