Heparitin Sulfate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1231
Total Number of Articles : 3266
PubChem 53477715
Molecular Formula

C14H25NO21S3

SMILES

CO[C@@H]1[C@H]([C@@H]([C@@H](O[C@@H]1C(=O)O)O[C@H]2[C@@H](O[C@H]([C@H]([C@@H]2O)NOS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C14H25NO21S3/c1-29-9-7(17)10(35-38(23,24)25)14(34-11(9)12(18)19)33-8-4(3-31-37(20,21)22)32-13(30-2)5(6(8)16)15-36-39(26,27)28/h4-11,13-17H,3H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)/t4-,5-,6-,7+,8-,9+,10-,11-,13+,14+/m0/s1

synonyms
  • HEPARITIN SULFATE
  • Suleparoid
  • Heparitin
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Properties
Property Value
MW 639.5 g/mol
HBD 7
HBA 22
Rotatable Bond Count 13
Exact Mass 639.00812033 g/mol
Monoisotopic Mass 639.00812033 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 1140
xlogp -7.6
Topological Polar Surface Area 352