Mrv1652306261722132D          

 18  8  0  0  0  0            999 V2000
   -1.6942    2.1730    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -3.9482    2.7769    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -4.5521    0.5230    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -2.4087    1.7605    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5357    2.0625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8376    0.9355    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7107    0.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1232    1.3480    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700    2.3516    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3700    0.7016    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5450    1.5266    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1950    1.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700    1.5266    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5521    1.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2263   -1.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8691   -1.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4879   -1.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2263   -2.7769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  2  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  2  0  0  0  0
M  CHG  8   1   2   2   2   3   2   4  -1   5  -1   6  -1   9  -1  10  -1
M  CHG  1  11  -1
M  END
> <DATABASE_ID>
DBSALT002534

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.O.O.O.[Mg++].[Mg++].[Mg++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/3Mg.2H3O4P.5H2O/c;;;2*1-5(2,3)4;;;;;/h;;;2*(H3,1,2,3,4);5*1H2/q3*+2;;;;;;;/p-6

> <INCHI_KEY>
QZYXGKYJDBUYES-UHFFFAOYSA-H

> <FORMULA>
H10Mg3O13P2

> <MOLECULAR_WEIGHT>
352.93

> <EXACT_MASS>
351.91478948

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
4.932137383430433

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trimagnesium(2+) ion pentahydrate diphosphate

> <JCHEM_LOGP>
-1.0201038226666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.951626889535468

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7961261340181292

> <JCHEM_POLAR_SURFACE_AREA>
86.25

> <JCHEM_REFRACTIVITY>
11.2868

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
trimagnesium(2+) ion pentahydrate diphosphate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002534

> <NAME>
Magnesium phosphate pentahydrate

> <DRUG_DRUGBANK_ID>
DB13862

> <DRUG_NAME>
Magnesium phosphate

> <CAS_NUMBER>
10233-87-1

> <UNII>
453COF7817

$$$$