5'-Inosinic acid disodium salt hydrate

CAS
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CAS
20813-76-7
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Purity
95%+
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Catalog Number

ACM20813767

Product Name

5'-Inosinic acid disodium salt hydrate

Structure

CAS

20813-76-7

Category

Heterocyclic Organic Compound

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

Molecular Weight

410.18

Molecular Formula

C10H13N4Na2O9P

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 Å²

MSDS

Download MSDS

COA

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Spec Sheet

Download Spec Sheet

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