ChemSpider 2D Image | 2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-4-O-sulfo-beta-D-galactopyranose | C14H23NO15S

2-Acetamido-2-deoxy-3-O-β-D-glucopyranuronosyl-4-O-sulfo-β-D-galactopyranose

  • Molecular FormulaC14H23NO15S
  • Average mass477.395 Da
  • Monoisotopic mass477.078827 Da
  • ChemSpider ID58145265

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-3-O-β-D-glucopyranuronosyl-4-O-sulfo-β-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-3-O-β-D-glucopyranuronosyl-4-O-sulfo-β-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-3-O-β-D-glucopyranuronosyl-4-O-sulfo-β-D-galactopyranose [French] [ACD/IUPAC Name]
β-D-Galactopyranose, 2-(acetylamino)-2-deoxy-3-O-β-D-glucopyranuronosyl-, 4-(hydrogen sulfate) [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
24967-93-9 [RN]
chondroitin 4-(hydrogen sulfate)
Chondroitin 4'-sulfate
Chondroitin 4-sulfate
chondroitin A sulfate
More...
  • Miscellaneous

    • Chemical Class:

      A chondroitin sulfate in which the site of sulfation is carbon 4 of the <element>N</element>-acetylgalactosamine (GalNAc) sugar. ChEBI CHEBI:18250
      A chondroitin sulfate in which the site of sulfation is carbon 4 of the N-acetylgalactosamine (GalNAc) sugar. ChEBI CHEBI:18250
      An oligosaccharide sulfate that is 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding beta-D-glucopyranuronoside. ChEBI CHEBI:145591

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -4.47
ACD/LogD (pH 5.5): -9.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 112.4±5.0 dyne/cm
Molar Volume: 255.0±5.0 cm3

Click to predict properties on the Chemicalize site


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