ChemSpider 2D Image | (2S,3R,4E)-2-(Hexacosanoylamino)-3-hydroxy-4-octadecen-1-yl 5-acetamido-6-[(1S,2R)-2-({5-acetamido-6-[(1S,2R)-2-({5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyran onosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3- trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-deoxy-2-(2-oxopropyl)-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside | C115H199N5O55

(2S,3R,4E)-2-(Hexacosanoylamino)-3-hydroxy-4-octadecen-1-yl 5-acetamido-6-[(1S,2R)-2-({5-acetamido-6-[(1S,2R)-2-({5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyran onosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3- trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)-2-deoxy-2-(2-oxopropyl)-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC115H199N5O55
  • Average mass2531.811 Da
  • Monoisotopic mass2530.292969 Da
  • ChemSpider ID35032275

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 42 of 46 defined stereocentres

More details:

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

(2S,4S,5R)-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-2-{[(1S,2R)-1-[(3R,4S,6S)-6-carboxy-6-{[(2R,3S,4R,5R,6S)-3-{[(2S,3R,4R,5R,6R)-4-{[(2R,3R,4S,5S,6R)-4-{[(2S,4S,5R)-2-
Ganglioside GQ1c (d18:1/26:0)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 2065.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 386.8±6.0 kJ/mol
Flash Point: 1202.9±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 609.1±0.4 cm3
#H bond acceptors: 60
#H bond donors: 34
#Freely Rotating Bonds: 82
#Rule of 5 Violations: 4
ACD/LogP: 12.62
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 965 Å2
Polarizability: 241.5±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 1749.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement