ChemSpider 2D Image | (4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[(6S)-5-amino-6-[(1R)-3-({(6S)-5-amino-3,5-dideoxy-6-[(1S)-1,2,3-trihydroxypropyl]-alpha-D-threo-he x-2-ulopyranonosyl}oxy)-1,2-dihydroxypropyl]-3,5-dideoxy-alpha-D-threo-hex-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside | C74H134N4O32

(4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-[(6S)-5-amino-6-[(1R)-3-({(6S)-5-amino-3,5-dideoxy-6-[(1S)-1,2,3-trihydroxypropyl]-α-D-threo-he x-2-ulopyranonosyl}oxy)-1,2-dihydroxypropyl]-3,5-dideoxy-α-D-threo-hex-2-ulopyranonosyl-(2->3)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC74H134N4O32
  • Average mass1591.863 Da
  • Monoisotopic mass1590.898071 Da
  • ChemSpider ID4952955

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 23 of 29 defined stereocentres

More details:

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

(4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-[(6S)-5-amino-6-[(1R)-3-({(6S)-5-amino-3,5-dideoxy-6-[(1S)-1,2,3-trihydroxypropyl]-α-D-threo-he x-2-ulopyranonosyl}oxy)-1,2-dihydroxypropyl]-3,5-dideoxy-α-D-threo-hex-2-ulopyranonosyl-(2->3)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)-[(6S)-5-amino-6-[(1R)-3-({(6S)-5-amino-3,5-didesoxy-6-[(1S)-1,2,3-trihydroxypropyl]-α-D-threo- hex-2-ulopyranonosyl}oxy)-1,2-dihydroxypropyl]-3,5-didesoxy-α-D-threo-hex-2-ulopyranonosyl-(2->3)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)-[(6S)-5-amino-6-[(1R)-3-({(6S)-5-amino-3,5-didésoxy-6-[(1S)-1,2,3-trihydroxypropyl]-α-D-thréo-hex-2-ulopyranonosyl}oxy)-1,2-dihydroxypropyl]-3,5 -didésoxy-α-D-thréo-hex-2-ulopyranonosyl-(2->3)]-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranoside de (4E)-3-hydroxy-2-(stearoylamino)-4-octadécén-1-yle [French] [ACD/IUPAC Name]
Octadecanamide, N-[(3E)-1-[[[O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-O-[O(8ξ)-5-amino-3,5-dideoxy-β-L-galacto-2-nonulopyranonosyl-(2->9)-(8ξ)-5-amino-3,5-dideoxy-α-D-altro-2- nonulopyranonosyl-(2->;3)]-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
(2S,4R,5S,6S)-5-AMINO-6-(3-{[(2R,4R,5S,6S)-5-AMINO-2-CARBOXY-4-HYDROXY-6-(1,2,3-TRIHYDROXYPROPYL)OXAN-2-YL]OXY}-1,2-DIHYDROXYPROPYL)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-DIHYDROXY-6-{[(4E)-3-HYDROXY-2-OCTADECANAMIDOOCTADEC-4-EN-1-YL]OXY}-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}-5-{[(2S,3R,4R,5R,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-HYDROXY-6-(HYDROXYMETHYL)OXAN-4-YL]OXY}-4-HYDROXYOXANE-2-CARBOXYLIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1539.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 267.6±6.0 kJ/mol
Flash Point: 884.7±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 393.9±0.4 cm3
#H bond acceptors: 36
#H bond donors: 24
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 4
ACD/LogP: 10.51
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 129.92
ACD/KOC (pH 5.5): 220.71
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 125.95
ACD/KOC (pH 7.4): 213.97
Polar Surface Area: 601 Å2
Polarizability: 156.2±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 1152.0±5.0 cm3

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