5'-Inosinic acid disodium salt hydrate

• CAS: 20813-76-7
• Catalog Number: ACM20813767
• Category: Other Products
• Molecular Weight: 410.18
• Molecular Formula: C10H13N4Na2O9P
• Synonyms: Methyl phosphate octahydrate
• IUPAC Name: Disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;octahydrate
• Canonical SMILES: C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/C10H13N4O8P.2Na.8H₂O/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;;;;;;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;;8*1H2/q;2*+1;;;;;;;;/p-2/t4-,6-,7-,10-;;;;;;;;;;/m1........../s1
• InChI Key: QKWLBOYKTJDMLH-NAGQJCCQSA-L
• Boiling Point: 851.4 °C/760 mmHg
• Melting Point: 175 °C
• Appearance: White to off-white solid
• Storage: Inert atmosphere, 2-8 °C
• Complexity: 544
• Exact Mass: 536.09550635
• Isomeric SMILES: C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• Monoisotopic Mass: 536.09550635
• Topological Polar Surface Area: 189 Ų