ChemSpider 2D Image | (2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(1R,2R,3R)-1-[(1R)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-2-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid | C28H44N2O23

(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(1R,2R,3R)-1-[(1R)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-2-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

  • Molecular FormulaC28H44N2O23
  • Average mass776.649 Da
  • Monoisotopic mass776.233459 Da
  • ChemSpider ID28294968

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

β-D-Glucopyranuronosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acetamido-2-desoxy-D-glucose [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-glucose [French] [ACD/IUPAC Name]
57282-61-8 [RN]
D-Glucose, 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]
Hyaluronate Tetrasaccharide
hyaluronic acid tetrasaccharide
β-D-Glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-D-glucose [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1320.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 223.6±6.0 kJ/mol
Flash Point: 752.2±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 162.1±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -6.10
ACD/LogD (pH 5.5): -11.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 408 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 110.5±5.0 dyne/cm
Molar Volume: 443.2±5.0 cm3

Click to predict properties on the Chemicalize site


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