| CAS Number | 71519-72-7 |
| Catalog Number | AG003P2S(AGN-PC-0TYZCU) |
| Chemical Name | Creatine phosphate disodium salt tetrahydrate |
| IUPAC Name | disodium;2-[carbamimidoyl(methyl)amino]acetate;dihydrogen phosphate;tetrahydrate |
| InChI | InChI=1S/C4H9N3O2.2Na.H3O4P.4H2O/c1-7(4(5)6)2-3(8)9;;;1-5(2,3)4;;;;/h2H2,1H3,(H3,5,6)(H,8,9);;;(H3,1,2,3,4);4*1H2/q;2*+1;;;;;/p-2 |
| InChI Key | PCJPTQMLCUIKFP-UHFFFAOYSA-L |
| MDL Number | MFCD00014351 |
| Molecular Formula | C4H18N3Na2O10P |
| Molecular Weight | 345.1531 |
| SMILES | CN(CC([O-])=O)C(N)=N.O=P(O)(O)[O-].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Na+].[Na+] |
| Synonyms | 71519-72-7,
KS-000018F6,
AK187765,
Creatine phosphate disodium salt tetrahydrate,
Phosphocreatine disodium salt tetrahydrate,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 8 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.152g/mol |
| Monoisotopic Mass | 345.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 178A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number