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Disodium 5'-inosinate monohydrate

CAT: 1568-C09312-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C09312-100mgSize:100 mg
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CAS Number
352195-40-5
Synonyms
Inosine 5'-monophosphate disodium salt hydrate
Target
Others
Applications
Others
Smiles
O.[Na+].[Na+].OC1C (O) C (OC1CO[P] ([O-]) ([O-]) =O) [N]2C=NC3=C2N=CNC3=O
Molecular Formula
C10H13N4Na2O9P
Additionnal Information
Disodium 5’-inosinate monohydrate (Inosine 5’-monophosphate disodium salt hydrate) is an endogenous metabolite.
Storage Conditions
3 years -20°C powder

Chemical Information

Disodium 5'-inosinate monohydrate

See also: Inosine 5'-monophosphate, disodium salt hydrate (annotation moved to).

CAS Number352195-40-5
PubChem CID135565601
IUPAC Namedisodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;hydrate
Molecular FormulaC10H13N4Na2O9P
Molecular Weight410.18
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity543
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.[Na+].[Na+]
InChI
InChI=1S/C10H13N4O8P.2Na.H2O/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);;;1H2/q;2*+1;/p-2/t4-,6-,7-,10-;;;/m1.../s1
InChIKey
KQCIGEIXDXQSGM-MSQVLRTGSA-L
Chemical Structure
2D Structure
2D structure of Disodium 5'-inosinate monohydrate
CAS: 352195-40-5
CID: 135565601
Formula: C10H13N4Na2O9P
MW: 410.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.18
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass410.02155357
Monoisotopic Mass410.02155357
Topological Polar Surface Area182 Ų
Heavy Atom Count26
Formal Charge0
Complexity543
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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