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About This Item
Empirical Formula (Hill Notation):
C9H14N3Na2O14P3 · xH2O
CAS Number:
Molecular Weight:
527.12 (anhydrous basis)
PubChem Substance ID:
UNSPSC Code:
41106305
Beilstein/REAXYS Number:
3582735
MDL number:
impurities
≤4% solvents of crystallization
SMILES string
O.[Na+].[Na+].NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(O)(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]2O
InChI
1S/C9H16N3O14P3.2Na.H2O/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);;;1H2/q;2*+1;/p-2/t4-,6-,7-,8-;;;/m1.../s1
InChI key
IJMSOWKYYIROGP-LLWADOMFSA-L
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