ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2- acetamido-2-deoxy-beta-D-glucopyranose | C37H62N2O29

(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->4)-[β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)]-2- acetamido-2-deoxy-β-D-glucopyranose

  • Molecular FormulaC37H62N2O29
  • Average mass998.884 Da
  • Monoisotopic mass998.343811 Da
  • ChemSpider ID128434256

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(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->4)-[β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)]-2- ;acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
(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->;4)-[β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)]-2 ;-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
(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->;4)-[β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)]-2 ;-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-[O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1-> 6)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulonosyl-(2->3)-β-D-galactosyl-(1->4)-[β-D-galactosyl-(1->4)-β-D-glucosyl-(1->6)]-2-acetamido-2-deoxy-β-D-glucose
Group B Streptococcus Type III Pentasaccharide (Branched frameshift)
missing
N-acetyl-α-neuraminyl-(2->3)-β-D-galactosyl-(1->4)-[β-D-galactosyl-(1->4)-β-D-glucosyl-(1->6)]-N-acetyl-β-D-glucosamine
Neu5Acalpha2-3Galβ1-4(GalβGlc1-4β1-6)GlcNAcbeta
α-Neu5Ac-(2->3)-β-D-Gal-(1->4)-[β-D-Gal-(1->4)-β-D-Glc-(1->6)]-β-D-GlcNAc
  • Miscellaneous

    • Chemical Class:

      A branched amino pentasaccharide comprising the linear sequence alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc, to the terminal GlcNAc residue is attached at the 6-position a beta-D-Gal-(1->4)-be ta-D-Glc disaccharide side-branch. ChEBI CHEBI:156097

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1448.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 248.9±6.0 kJ/mol
Flash Point: 829.6±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 212.0±0.4 cm3
#H bond acceptors: 31
#H bond donors: 19
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -5.49
ACD/LogD (pH 5.5): -9.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 502 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 117.8±5.0 dyne/cm
Molar Volume: 563.0±5.0 cm3

Click to predict properties on the Chemicalize site


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