ChemSpider 2D Image | N-[(2S,3S,4E)-1-{[(2R,3R,4R,5S,6R)-5-({(2S,4R,4a'R,5S,5'S,7'R,8'S,8a'S)-5-Acetamido-8'-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl )tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-7'-(hydroxymethyl)-3'-oxo-6-[(1S,2S)-1,2,3-trihydroxypropyl]octahydro-5'H-spiro[pyran-2,2'-pyrano[3,4-b][1,4]dioxin]-5'-yl}oxy)-3, 4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-p | C73H129N3O30

N-[(2S,3S,4E)-1-{[(2R,3R,4R,5S,6R)-5-({(2S,4R,4a'R,5S,5'S,7'R,8'S,8a'S)-5-Acetamido-8'-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl )tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-7'-(hydroxymethyl)-3'-oxo-6-[(1S,2S)-1,2,3-trihydroxypropyl]octahydro-5'H-spiro[pyran-2,2'-pyrano[3,4-b][1,4]dioxin]-5'-yl}oxy)-3, 4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-p

  • Molecular FormulaC73H129N3O30
  • Average mass1528.807 Da
  • Monoisotopic mass1527.866089 Da
  • ChemSpider ID4940817

  • 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

N-[(2S,3S,4E)-1-{[(2R,3R,4R,5S,6R)-5-({(2S,4R,4a'R,5S,5'S,7'R,8'S,8a'S)-5-Acetamido-8'-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl )tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-7'-(hydroxymethyl)-3'-oxo-6-[(1S,2S)-1,2,3-trihydroxypropyl]octahydro-5'H-spiro[pyran-2,2'-pyrano[3,4-b][1,4]dioxin]-5'-yl}oxy)-3, 4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-p [ACD/IUPAC Name]
ganglioside AGF2
Ganglioside GM1, intramol. 1(B1),2(B)-ester
N-(ll(sup 3)-N-Acetylneuraminosylgangliotetraosyl)ceramide, intramolecular ester
Octadecanamide, N-((1S,3R,3E)-1-(((O-(N-acetyl-α-neuraminosyl)-(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-glucopyranosyl)oxy)methyl)-2-hydroxy-3-heptadecenyl)-, intramol, 1''',2''-ester
Siagoside [INN]
Siagosido [Spanish]
Siagosidum [Latin]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1498.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 259.1±6.0 kJ/mol
Flash Point: 859.9±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 380.8±0.4 cm3
#H bond acceptors: 33
#H bond donors: 18
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 4
ACD/LogP: 8.67
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 88107.63
ACD/KOC (pH 5.5): 120487.55
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 88107.24
ACD/KOC (pH 7.4): 120487.15
Polar Surface Area: 509 Å2
Polarizability: 150.9±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 1132.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement