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CAS No.: | 71519-72-7 |
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Name: | CREATINE PHOSPHATE DISODIUM SALT TETRAHYDRATE |
Molecular Structure: | |
Formula: | C4H10N3O5P.4H2O.2Na |
Molecular Weight: | 331.14 |
Synonyms: | Glycine,N-[imino(phosphonoamino)methyl]-N-methyl-, disodium salt, tetrahydrate (9CI);N-[Imino(phosphonoamino)methyl]-n-methylglycine disodium salt tetrahydrate;Phosphocreatine disodium salt tetrahydrate;Creatine phosphate, disodium;Disodium creatine phosphate;Disodium creatinephosphate tetrahydrate;Creatine phosphate disodium salt tetrahydrate;Creatine phosphate, disodium salt tetrahydrate diagnostic-grade ultra-pure;Creatine phosphate disodium salt tetrahydrate, 98+%; |
EINECS: | 213-074-6 |
Solubility: | water: 0.1 g/mL, clear, colorless |
Safety: | 22-24/25 |
PSA: | 189.33000 |
LogP: | -0.13320 |
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The Glycine,N-[imino(phosphonoamino)methyl]-N-methyl-, sodium salt, hydrate (1:2:4) with CAS registry number of 71519-72-7 is also known as N-[Imino(phosphonoamino)methyl]-n-methylglycine disodium salt tetrahydrate. The systematic name is Disodium 2-[methyl-(N-phosphonatocarbamimidoyl)amino]acetic acid tetrahydrate. Its EINECS registry number is 213-074-6. In addition, the formula is C4H10N3O5P.4H2O.2Na and the molecular weight is 331.14.
Physical properties about Glycine,N-[imino(phosphonoamino)methyl]-N-methyl-, sodium salt, hydrate (1:2:4) are: (1)#H bond acceptors: 12; (2)#H bond donors: 13; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 149.42Å2.
You can still convert the following datas into molecular structure:
1. SMILES: CN(CC(=O)O)C(=N)NP(=O)([O-])[O-].O.O.O.O.[Na+].[Na+]
2. InChI: InChI=1/C4H10N3O5P.2Na.4H2O/c1-7(2-3(8)9)4(5)6-13(10,11)12;;;;;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;;4*1H2/q;2*+1;;;;/p-2
3. InChIKey: HUWYWJSJJDCZRQ-NUQVWONBAG
4. Std. InChI: InChI=1S/C4H10N3O5P.2Na.4H2O/c1-7(2-3(8)9)4(5)6-13(10,11)12;;;;;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;;4*1H2/q;2*+1;;;;/p-2
5. Std. InChIKey: HUWYWJSJJDCZRQ-UHFFFAOYSA-L