Catalog Number:
AG008092
Chemical Name:
Heparin disaccharide III-S sodium salt
CAS Number:
136098-03-8
Molecular Formula:
C12H16NNa3O16S2
Molecular Weight:
563.3518
MDL Number:
MFCD00466933
IUPAC Name:
trisodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate
InChI:
InChI=1S/C12H19NO16S2.3Na/c14-2-5-9(7(16)6(11(19)26-5)13-30(20,21)22)28-12-8(29-31(23,24)25)3(15)1-4(27-12)10(17)18;;;/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25);;;/q;3*+1/p-3/t3-,5+,6+,7+,8+,9+,11?,12-;;;/m0.../s1
InChI Key:
KNWWWYJQBVFLQC-LXROVJCJSA-K
SMILES:
OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O[C@@H]1OC(=C[C@@H]([C@H]1OS(=O)(=O)[O-])O)C(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+]
