Mrv0541 08251413502D          

 13  8  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
   -0.0000   -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  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
    0.0000   -0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7714   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9464    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5964   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714   -0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.9536    0.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    1.1196   -2.4750    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  2  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  2  0  0  0  0
M  CHG  8   1  -1   2  -1   3  -1   6  -1   7  -1   8  -1  11   2  12   2
M  CHG  1  13   2
M  END
> <DATABASE_ID>
T3D0738

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2H3O4P.3Zn/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;/q;;3*+2/p-6

> <INCHI_KEY>
LRXTYHSAJDENHV-UHFFFAOYSA-H

> <FORMULA>
O8P2Zn3

> <MOLECULAR_WEIGHT>
386.17

> <EXACT_MASS>
381.694279734

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
4.932137383430433

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trizinc(2+) ion 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>
trizinc(2+) ion diphosphate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0738

> <NAME>
Zinc phosphate

> <CAS>
7779-90-0

> <SYNONYMS>
Bonderite 181; Bonderite 40; Bonderite 880; C.I. Pigment White 32; Delaphos; Delaphos 2M; Fleck's extraordinary; Fleck's extraordinary cement; Granodine 80; Heucophos ZP 10; LF Bowsei PW 2; LF-PW 2; Microphos 90; Neutral zinc phosphate; Phosphinox PZ 06; Phosphoric acid, zinc salt; Pigment White 32; Sicor ZNP/m; Sicor ZNP/s; Tribasic zinc phosphate; Trizinc bis(orthophosphate); Trizinc diphosphate; Virchem 931; Weather coat 1000; Zinc acid phosphate; Zinc hydrogen phosphate; Zinc ortho-phosphate; Zinc orthophosphate; Zinc phosphate (3:2); Zinc phosphate cement; Zinc phosphic acid; Zn3(PO4)2; ZP-DL; ZP-SB; ZPF

> <TYPES>
Inorganic Compound; Zinc Compound; Household Toxin; Industrial/Workplace Toxin; Natural Compound

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