Fondaparinux

C31H43N3Na10O49S8CAS 114870-03-01728.03 g/mol

Open in Covalent MOL file
OOOSO−OOOOO−OOOOSO−OOOOO−OOOOSO−OOHOHONHSO−OOHOOHOSO−OOHNSO−OOHOOSO−OOHOHNSO−OONa+Na+Na+Na+Na+Na+Na+Na+Na+Na+
AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C31H43N3Na10O49S8
Molar mass
1728.03 g/mol
Exact mass
1726.7708 Da
logP
-17.56Crippen estimate
Polar surface area
805.5 Ų
H-bond donors / acceptors
19 / 39
Rotatable bonds
30
Stereocentres
S, R, S, R, R, S, R, R, R, R, S, S, R, R, S, R, R, R, R, R, R, S, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
114870-03-0
SMILES
CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@@H](C([O-])=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@H](C([O-])=O)[C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4O)[C@H](OS([O-])(=O)=O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@H](O)[C@H]1NS([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

12 names
  • α-D-Glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-β-D-glucopyranuronosyl-(1→4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate), sodium salt (1:10)
  • α-D-Glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-β-D-glucopyranuronosyl-(1→4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-O-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate), decasodium salt
  • IC 851589
  • SR 90107A
  • Fondaparinux sodium
  • Arixtra
  • Xantidar
  • Fondaparin sodium
  • Org 31540
  • IC 85158
  • Fondaparin
  • Quixidar

Work with Fondaparinux

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lithium heparin9045-22-145 % similar 1-O-Methyl-beta-D-glucuronic acid, sodium salt134253-42-236 % similar Acetylated starch9045-28-732 % similar Sodium sucrose octasulfate74135-10-731 % similar Sodium lactobionate27297-39-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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