Heparin disaccharide I-A sodium salt

Base Information

• Chemical Name: Heparin disaccharide I-A sodium salt
• CAS No.: 136098-00-5
• Molecular Formula: C14H18NO17S2.3Na
• Molecular Weight: 605.39
• DSSTox Substance ID: DTXSID70463603
• Mol file: 136098-00-5.mol

Synonyms:Heparin disaccharide I-A sodium salt;136098-00-5;trisodium;(2R,3R,4S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate;alpha-deltaUA-2S-[1->4]-GlcNAc-6S;Heparin disaccharide i-a sodium;DTXSID70463603;MFCD00466925;AKOS025294404;alpha-DeltaUA-2S-[1-->4]-GlcNAc-6S;J-006798

Chemical Property of Heparin disaccharide I-A sodium salt

Chemical Property:

• PSA: 310.72000
• LogP: -3.15540
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 604.97092330
• Heavy Atom Count: 37
• Complexity: 966

Purity/Quality:

98%min ^*data from raw suppliers

Heparin disaccharide I-A trisodium salt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)[O-])OC2C(C(C=C(O2)C(=O)[O-])O)OS(=O)(=O)[O-])O.[Na+].[Na+].[Na+]
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)OS(=O)(=O)[O-])O.[Na+].[Na+].[Na+]