ChemSpider 2D Image | alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-Galp | C37H62N2O29

α-Neup5Ac-(2->3)-β-D-Galp-(1->4)-β-D-GlcpNAc-(1->3)-[β-D-Glcp-(1->4)]-β-D-Galp

  • Molecular FormulaC37H62N2O29
  • Average mass998.884 Da
  • Monoisotopic mass998.343811 Da
  • ChemSpider ID152093

  • 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)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[β-D-glucopy ranosyl-(1->4)]-β-D-galactopyranose [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)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-[β-D-gluco pyranosyl-(1->4)]-β-D-galactopyranose [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)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-[β-D-gluco pyranosyl-(1->4)]-β-D-galactopyranose [French] [ACD/IUPAC Name]
84280-28-4 [RN]
α-Neup5Ac-(2->3)-β-D-Galp-(1->4)-β-D-GlcpNAc-(1->;3)-[β-D-Glcp-(1->4)]-β-D-Galp
β-D-Galactopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-[be ta-D-glucopyranosyl-(1->4)]- [ACD/Index Name]
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulonosyl-(2->3)-β-D-galactosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucosyl-(1->3)-[β-D-glucosyl-(1->4)]-β-D-galactose
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->4)]-β-D-gala
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->4)]-β-D-galactopyranose
ctopyranose
More...
  • Miscellaneous

    • Chemical Class:

      A amino pentasaccharide consisting of <stereo>beta</stereo>-<stereo>D</stereo>-galactose at the reducing end having a <stereo>beta</stereo>-<stereo>D</stereo>-glucosyl residue at the 4-position and an <element>N</element>-acetyl-<stereo>alpha</stereo>-neuraminyl-(2<arrow>right</arrow>3)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo >beta</stereo>-<stereo>D</stereo>-glucosyl moiety at the 3-position. ChEBI CHEBI:61712
      A amino pentasaccharide consisting of beta-D-galactose at the reducing end having a beta-D-glucosyl residue at the 4-position and an; N-acetyl-alpha-neuraminyl-(2right3)-beta-D-galactosyl-(1right4)-N -acetyl-beta-D-glucosyl moiety at the 3-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61712
      An amino pentasaccharide consisting of beta-D-galactose at the reducing end having a beta-D-glucosyl residue at the 4-position and an N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl -beta-D-glucosyl moiety at the 3-position. ChEBI CHEBI:61712

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1446.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 248.6±6.0 kJ/mol
Flash Point: 828.7±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: -5.22
ACD/LogD (pH 5.5): -9.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.86
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

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