Mrv0541 02241216382D          

  6  4  0  0  0  0            999 V2000
   -2.4758   -0.1647    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    1.6504   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6504   -0.0004    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6504    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8258   -0.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758   -0.0004    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  CHG  3   1   2   4  -1   6  -1
M  END
> <DATABASE_ID>
FDB013361

> <DATABASE_NAME>
foodb

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

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

> <INCHI_KEY>
MHJAJDCZWVHCPF-UHFFFAOYSA-L

> <FORMULA>
HMgO4P

> <MOLECULAR_WEIGHT>
120.284

> <EXACT_MASS>
119.94628693

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.2347000379981

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion hydrogen phosphate

> <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>
83.42

> <JCHEM_REFRACTIVITY>
12.4085

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion hydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB013361

> <GENERIC_NAME>
Magnesium phosphate (Mg(HPO4))

$$$$