ChemSpider 2D Image | beta-D-GlcpA-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-D-GlcpNAc | C28H44N2O23

β-D-GlcpA-(1->3)-β-D-GlcpNAc-(1->4)-β-D-GlcpA-(1->3)-D-GlcpNAc

  • Molecular FormulaC28H44N2O23
  • Average mass776.649 Da
  • Monoisotopic mass776.233459 Da
  • ChemSpider ID7986912

  • defined stereocentres - 19 of 20 defined stereocentres

More details:

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

D-Glucopyranose, O-β-D-glucopyranuronosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-GlcpA-(1->3)-β-D-GlcpNAc-(1->;4)-β-D-GlcpA-(1->3)-D-GlcpNAc
β-D-Glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
β-D-Glucopyranuronosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Glucopyranuronosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
(GlcA)2 (GlcNAc)2
hyaluronic acid tetrasaccharide
missing
WURCS=2.0/3,4,3/[a2122h-1x1-52*NCC/3=O][a2122A-1b1-5][a2122h-1b1-52*NCC/3=O]/1-2-3-2/a3-b1b4-c1_c3-d1
β-D-GlcA-(1->3)-β-D-GlcNAc-(1->4)-β-D-GlcA-(1->3)-D-GlcNAc

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

CHEBI:64026 [DBID]
  • Miscellaneous

    • Chemical Class:

      A linear amino tetrasaccharide comprising two <stereo>beta</stereo>-<stereo>D</stereo>-GlcA-(1<arrow>right</arrow>3)-<stereo>D</stereo>-GlcNAc units connected via a <stereo>beta</stereo>-(1<arrow>righ t</arrow>4)-linkage. ChEBI CHEBI:64026
      A linear amino tetrasaccharide comprising two beta-D-GlcA-(1->3)-D-GlcNAc units connected via a beta-(1->4)-linkage. ChEBI CHEBI:64026
      A linear amino tetrasaccharide comprising two beta-D-GlcA-(1right3)-D-GlcNAc units connected via a beta-(1righ; t4)-linkage. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64026

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1274.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 214.8±6.0 kJ/mol
Flash Point: 724.5±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -6.62
ACD/LogD (pH 5.5): -11.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 400 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 113.5±5.0 dyne/cm
Molar Volume: 434.0±5.0 cm3

Click to predict properties on the Chemicalize site


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