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Inosine 5'-diphosphate trisodium

CAT: 1459-CS-N-00136Size: 1 EachDry Ice: NoHazardous: No
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Description
Inosine 5'-diphosphate trisodium is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Inosine. The product is supplied by Clearsynth under CAT No. CS-N-00136. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
81012-88-6
Synonyms
Inosine 5'-diphosphate trisodium
Molecular Formula
C 10 H 11 N 4 Na 3 O 11 P 2
Molecular Weight
494.13
Additionnal Information
Inosine 5'-diphosphate trisodium is supplied with detailed characterization data compliant with regulatory guideline. Inosine 5'-diphosphate trisodium can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Inosine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Inosine-5'-diphosphate trisodium salt
CAS Number81012-88-6
PubChem CID135445743
IUPAC Nametrisodium;[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
Molecular FormulaC10H11N4Na3O11P2
Molecular Weight494.13
Topological Polar Surface Area231
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity695
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H14N4O11P2.3Na/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1
InChIKey
CPIQGMJSIPVOOS-MSQVLRTGSA-K
Chemical Structure
2D Structure
2D structure of Inosine-5'-diphosphate trisodium salt
CAS: 81012-88-6
CID: 135445743
Formula: C10H11N4Na3O11P2
MW: 494.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.13
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass493.95926402
Monoisotopic Mass493.95926402
Topological Polar Surface Area231 Ų
Heavy Atom Count30
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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