ChemSpider 2D Image | beta-D-Glcp3(1-carboxyEt)NAc-(1->4)-beta-D-GlcpNAc | C19H32N2O13

β-D-Glcp3(1-carboxyEt)NAc-(1->4)-β-D-GlcpNAc

  • Molecular FormulaC19H32N2O13
  • Average mass496.463 Da
  • Monoisotopic mass496.190430 Da
  • ChemSpider ID28533574

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

2-Acetamido-4-O-[2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-4-O-[2-acetamido-3-O-(1-carboxyethyl)-2-desoxy-β-D-glucopyranosyl]-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-4-O-[2-acétamido-3-O-(1-carboxyéthyl)-2-désoxy-β-D-glucopyranosyl]-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glcp3(1-carboxyEt)NAc-(1->4)-β-D-GlcpNAc
β-D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-3-O-(1-carboxyethyl)-2-deoxy-β-D-glucopyranosyl]-2-deoxy- [ACD/Index Name]
2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose
HOOC(CH3)CH-3-O-GlcNAcbeta1-4GlcNAcbeta
missing
N-acetyl-3-O-(1-carboxyethyl)-β-D-glucosaminyl-(1->4)-N-acetyl-β-D-glucosamine
  • Miscellaneous

    • Chemical Class:

      An amino disaccharide consisting of <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine, substituted on O-3 with a 1-carboxyethyl group and linked (1<arrow>right</arrow>4) to a second <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine residue. ChEBI CHEBI:71424
      An amino disaccharide consisting of N-acetyl-beta-D-glucosamine, substituted on O-3 with a 1-carboxyethyl group and linked (1->4) to a second N-acetyl-beta-D-glucosamine residue. ChEBI CHEBI:71424
      An amino disaccharide consisting of N-acetyl-beta-D-glucosamine, substituted on O-3 with a 1-carboxyethyl group and linked (1right4); to a second N-acetyl-beta-D-glucosamine residue. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71424

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

Density: 1.5±0.1 g/cm3
Boiling Point: 961.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.8±6.0 kJ/mol
Flash Point: 535.4±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 324.2±5.0 cm3

Click to predict properties on the Chemicalize site


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