Mrv0541 02241205572D          

 13  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    3.2411    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.0018   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.0036   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.0054   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.0018   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.0036   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.0054   -3.3000    0.0000 P   0  7  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 P   0  7  0  0  0  0  0  0  0  0  0  0
M  CHG  8   1   2   2   2   3   2   4  -2   5  -2   6  -2   7  -2   8  -2
M  CHG  5   9  -2  10  -2  11  -2  12  -3  13  -3
M  END
> <DATABASE_ID>
T3D1222

> <DATABASE_NAME>
t3db

> <SMILES>
[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[P-3].[P-3].[Cu++].[Cu++].[Cu++]

> <INCHI_IDENTIFIER>
InChI=1S/3Cu.8O.2P/q3*+2;8*-2;2*-3

> <INCHI_KEY>
OSLYPPBAVUHSEZ-UHFFFAOYSA-N

> <FORMULA>
Cu3O8P2

> <MOLECULAR_WEIGHT>
380.581

> <EXACT_MASS>
378.695643237

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-16

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tricopper(2+) ion octaoxidandiide diphosphanetriide

> <JCHEM_LOGP>
0.156

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tricopper(2+) ion octaoxidandiide diphosphanetriide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1222

> <NAME>
Copper orthophosphate

> <CAS>
10103-48-7

> <SYNONYMS>
Copper orthophosphic acid; Copper phosphate; Phosphoric acid, copper salt; Primary copper phosphate

> <TYPES>
Inorganic Compound; Copper Compound; Industrial/Workplace Toxin; Synthetic Compound

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