ChemSpider 2D Image | GT1b-ganglioside | C95H165N5O47

GT1b-ganglioside

  • Molecular FormulaC95H165N5O47
  • Average mass2129.332 Da
  • Monoisotopic mass2128.067383 Da
  • ChemSpider ID26332037

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 40 of 40 defined stereocentres

More details:

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

(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl (6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihyd roxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[(6R)-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-acetamido-2-deoxy-β-D-galactopyranosy [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)-4-octadecen-1-yl-(6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihy droxypropyl]-3,5-didesoxy-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1 ->;3)-2-acetamido-2-desoxy-β-D-galactopyra [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-6-[(1S,2R)-2-({(6R)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-didésoxy-β-L-thréo-hex-2-ulopyranono syl-(2->3)-[(6R)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-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-galactopyranosyl-(1->4)-β-D-gluc [French] [ACD/IUPAC Name]
GT1b-ganglioside
IV3NeuAc,II3(NeuAc)2-GgOse4Cer
Octadecanamide, N-[(1S,2R,3E)-1-[[[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3) -O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->;3)-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)]-O-β-D-galactopyranosy l-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2 [ACD/Index Name]
(2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranon
(2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-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-glucopyranoside
59247-13-1 [RN]
Ganglioside GT1b
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1915.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 350.9±6.0 kJ/mol
Flash Point: 1112.3±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 508.7±0.4 cm3
#H bond acceptors: 52
#H bond donors: 30
#Freely Rotating Bonds: 66
#Rule of 5 Violations: 4
ACD/LogP: 8.56
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 832 Å2
Polarizability: 201.7±0.5 10-24cm3
Surface Tension: 85.1±5.0 dyne/cm
Molar Volume: 1456.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement