71586994
  -OEChem-05102414052D

 27 20  0     0  0  0  0  0  0999 V2000
    4.4768    0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    0.8660    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    3.6108    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9768    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4409    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    1.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0749    1.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9768    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    4.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    6.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    9.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3439    0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1309    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    4.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    7.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    7.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    4.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    9.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    9.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  CHG  3   3   2   8  -1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
71586994

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
49.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
8

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccAAPAMAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACCAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;dihydrogen phosphate;tetrahydrate

> <PUBCHEM_IUPAC_CAS_NAME>
magnesium;dihydrogen phosphate;tetrahydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;dihydrogen phosphate;tetrahydrate

> <PUBCHEM_IUPAC_NAME>
magnesium;dihydrogen phosphate;tetrahydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;dihydrogen phosphate;tetrahydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;dihydrogen phosphate;tetrahydrate

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

> <PUBCHEM_IUPAC_INCHIKEY>
JVLIIJNRUHDLNL-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
289.9654415

> <PUBCHEM_MOLECULAR_FORMULA>
H12MgO12P2

> <PUBCHEM_MOLECULAR_WEIGHT>
290.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
O.O.O.O.OP(=O)(O)[O-].OP(=O)(O)[O-].[Mg+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
O.O.O.O.OP(=O)(O)[O-].OP(=O)(O)[O-].[Mg+2]

> <PUBCHEM_CACTVS_TPSA>
165

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
289.9654415

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
7

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$