ChemSpider 2D Image | 2-Acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-6-O-sulfo-D-galactose | C22H36N2O23S2

2-Acetamido-2-deoxy-6-O-sulfo-β-D-galactopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-6-O-sulfo-D-galactose

  • Molecular FormulaC22H36N2O23S2
  • Average mass760.651 Da
  • Monoisotopic mass760.115051 Da
  • ChemSpider ID168700
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

2-Acetamido-2-deoxy-6-O-sulfo-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-6-O-sulfo-D-galactose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-6-O-sulfo-β-D-galactopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acetamido-2-desoxy-6-O-sulfo-D-galactose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-6-O-sulfo-β-D-galactopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acétamido-2-désoxy-6-O-sulfo-D-galactose [French] [ACD/IUPAC Name]
D-Galactose, O-2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-galactopyranosyl-(1->;4)-O-β-D-glucopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy-, 6-(hydrogen sulfate) [ACD/Index Name]
71901-46-7 [RN]
Chondroitin sulfate trisaccharide
D-Galactose, O-2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-galactopyranosyl-(1-4)-O-β-D-glucopyranuronosyl-(1-3)-2-(acetylamino)-2-deoxy-, 6-(hydrogen sulfate)
N-Acetylgalactosamine 6-sulfate-glucuronic acid-N-acetylgalactosamine 6-sulfate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -3.07
ACD/LogD (pH 5.5): -10.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 415 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 111.7±5.0 dyne/cm
Molar Volume: 412.0±5.0 cm3

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