ChemSpider 2D Image | O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Gluc | C51H85N3O39

O-(N-acetyl-α-neuraminosyl)-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- D-Gluc

  • Molecular FormulaC51H85N3O39
  • Average mass1364.217 Da
  • Monoisotopic mass1363.476074 Da
  • ChemSpider ID17216398

  • defined stereocentres - 34 of 35 defined stereocentres

More details:

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

O-(N-acetyl-α-neuraminosyl)-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- D-Gluc
(6R)-5-Acetamido-3,5-dideoxy-6-[(2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyra nosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranosyl-(1->;3)-β-D-galactopyranosyl-(1->4)-D-glucose [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopy ranosyl-(1->4)-2-acetamido-2-desoxy-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopy ranosyl-(1->4)-2-acétamido-2-désoxy-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucose [French] [ACD/IUPAC Name]
118023-86-2 [RN]
D-Glucose, O-5-(acetylamino)-3,5-dideoxy-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1 ->4)-O-2-(acetylamino)-2-deoxy-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
O-(N-acetyl-α-neuraminosyl)-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- D-Glucose
O-(N-acetyl-α-neuraminosyl)-(2->3)-O-β-δ-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-δ-glucopyranosyl-(1->3)-O-β-δ-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-δ-glucopyranosyl-(1->3)-O-β-δ-galactopyranosyl-(1->4)- D-Glucose
(2S,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R)-6-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxym
4)-O-2-(acetylamino)-2-deoxy-??-??-glucopyranosyl-(1->3)-O-??-??-galactopyranosyl-(1->
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1706.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 303.3±6.0 kJ/mol
Flash Point: 985.6±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 291.6±0.4 cm3
#H bond acceptors: 42
#H bond donors: 25
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -4.72
ACD/LogD (pH 5.5): -9.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 677 Å2
Polarizability: 115.6±0.5 10-24cm3
Surface Tension: 117.9±5.0 dyne/cm
Molar Volume: 775.7±5.0 cm3

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