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ITP

CAT: 0013-GTR19152797Size: 5 x 15 ulDry Ice: NoHazardous: No
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CAT#:0013-GTR19152797Size:5 x 15 ul
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Description
ITP
CAS Number
35908-31-7
Product Name Alternative
Inosine-5'-triphosphate, Sodium salt
Field of Research
Metabolism Research
Concentration
100 mM-110 mM
Purity
≥ 95% (HPLC)
Form
Solution in water; Color: colorless to slightly yellow; pH: 7.5 ± 0.5
Smiles
[C@@H]1 ([C@H] ([C@@H] (O[C@@H]1COP (=O) (OP (=O) (OP (=O) (O) O) O) O) n1c2c (nc1) c (=O) [nH]cn2) O) O
Molecular Formula
C10H15N4O14P3
Molecular Weight
Theoretical MW: 508.16 g/mol (free acid) ; Detected MW: 507.98 g/mol (free acid)
Storage Conditions
Store at -20 °C
Notes
For research use only.
Applications Notes
Spectroscopic Propertie: λmax 249 nm, ε 12.2 L mmol-1 cm-1 (Tris-HCl, pH 7.5) . Specific Ligands: Specific and agonistic ligand for P2Y 4receptor.

Chemical Information

Inosine 5'-Triphosphate Trisodium Salt Hydrate
CAS Number35908-31-7
PubChem CID135742691
IUPAC Nametrisodium;[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
Molecular FormulaC10H12N4Na3O14P3
Molecular Weight574.11
Topological Polar Surface Area277
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity862
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-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H15N4O14P3.3Na/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(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,23,24)(H,11,12,17)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1
InChIKey
QRGLCGLOQVQVCS-MSQVLRTGSA-K
Chemical Structure
2D Structure
2D structure of Inosine 5'-Triphosphate Trisodium Salt Hydrate
CAS: 35908-31-7
CID: 135742691
Formula: C10H12N4Na3O14P3
MW: 574.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.11
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass573.92559491
Monoisotopic Mass573.92559491
Topological Polar Surface Area277 Ų
Heavy Atom Count34
Formal Charge0
Complexity862
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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