Deprecated ChemSpider Record

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ChemSpider 2D Image | 2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose | C26H42N2O37S5

2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose

  • Molecular FormulaC26H42N2O37S5
  • Average mass1134.928 Da
  • Monoisotopic mass1134.006958 Da
  • ChemSpider ID751

More details:





Date of deprecation: 14:03, Aug 12, 2015
Reason for deprecation: Deprecate record: no defined stereochemistry

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

2-O-Sulfohexopyranuronosyl-(1->4)-2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfohexopyranose [ACD/IUPAC Name]
2-O-Sulfohexopyranuronosyl-(1->4)-2-desoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acetamido-2-desoxy-6-O-sulfohexopyranose [German] [ACD/IUPAC Name]
2-O-Sulfohexopyranuronosyl-(1->4)-2-désoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-2-O-sulfohexopyranuronosyl-(1->4)-2-acétamido-2-désoxy-6-O-sulfohexopyranose [French] [ACD/IUPAC Name]
6-({5-Acetamido-4,6-dihydroxy-2-[(sulfooxy)methyl]tetrahydro-2H-pyran-3-yl}oxy)-3-{[5-{[6-carboxy-4,5-dihydroxy-3-(sulfooxy)tetrahydro-2H-pyran-2-yl]oxy}-6-(hydroxymethyl)-3-(sulfoamino)-4-(sulfooxy)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-(sulfooxy)tetrahydro-2H-pyran-2-carboxylic acid
Hexopyranose, O--2-O-sulfohexopyranuronosyl-(1->4)-O--2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-O--2-O-sulfohexopyranuronosyl-(1->4)-2-(acetylamino)-2-deoxy-, 6-(hydrogen sulfate) [ACD/Index Name]
hexopyranose, O--2-O-sulfohexopyranuronosyl-(1->4)-O--2-deoxy-3-O-sulfo-2-(sulfoamino)hexopyranosyl-(1->4)-O--2-O-sulfohexopyranuronosyl-(1->4)-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-, 6-(hydrogen sulfate)
9005-49-6 [RN]

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

PubChem Substance ID 329831176 [DBID]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 204.7±0.4 cm3
#H bond acceptors: 39
#H bond donors: 15
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -15.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -15.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 652 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 154.9±5.0 dyne/cm
Molar Volume: 518.2±5.0 cm3

Click to predict properties on the Chemicalize site





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