chempirical

Lithium heparin

C14H25NO20S3CAS 9045-22-1623.52 g/mol

Open in Covalent MOL file
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AcetalAlcoholCarboxylic acidEther

Properties

Molecular formula
C14H25NO20S3
Molar mass
623.52 g/mol
Exact mass
623.0132 Da
logP
-4.94Crippen estimate
Polar surface area
317.5 Ų
H-bond donors / acceptors
7 / 16
Rotatable bonds
12

Hazards

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

Identifiers

CAS number
9045-22-1
SMILES
COC1C(C(C(OC1C(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)O
InChI
InChI=1S/C14H25NO20S3/c1-29-9-7(17)10(35-38(26,27)28)14(34-11(9)12(18)19)33-8-4(3-31-37(23,24)25)32-13(30-2)5(6(8)16)15-36(20,21)22/h4-11,13-17H,3H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Heparin, lithium salt
  • Lithium acid heparin
  • Lithium heparinate

Work with Lithium heparin

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

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook