Marvin  01290710542D          
 
  7  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4750    0.8250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.8250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
M  CHG  4   1  -1   5  -1   6   1   7   1
M  END
> <ID>
CHEBI:34683

> <NAME>
disodium hydrogenphosphate

> <STAR>
3

> <SYNONYM>
Na2HPO4; Disodium phosphate; disodium orthophosphate; disodium monohydrogen phosphate; disodium hydrogen phosphate; disodium acid orthophosphate; Dibasic sodium phosphate

> <IUPAC_NAME>
disodium hydrogenphosphate

> <FORMULA>
HO4P.2Na; HNa2O4P

> <MASS>
141.95884

> <MONOISOTOPIC_MASS>
141.94078

> <CHARGE>
0

> <SMILES>
[Na+].[Na+].OP([O-])([O-])=O

> <INCHI>
InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2

> <INCHIKEY>
BNIILDVGGAEEIG-UHFFFAOYSA-L

> <CAS_REGISTRY_NUMBER>
7558-79-4

> <GMELIN_REGISTRY_NUMBER>
33547

> <CHEMIDPLUS>
7558-79-4

> <KEGG_COMPOUND_ACCESSION>
C13558

> <NIST_CHEMISTRY_WEBBOOK>
7558-79-4

> <WIKIPEDIA_ACCESSION>
Disodium_phosphate

$$$$