Mrv0541 02241205412D          

 13  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Pb  0  2  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 Pb  0  2  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 Pb  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536   -2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4786   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  CHG  8   1   2   2   2   3   2   4  -1   6  -1   7  -1   9  -1  11  -1
M  CHG  1  12  -1
M  END
> <DATABASE_ID>
T3D0333

> <DATABASE_NAME>
t3db

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

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

> <INCHI_KEY>
HUTDDBSSHVOYJR-UHFFFAOYSA-H

> <FORMULA>
O8P2Pb3

> <MOLECULAR_WEIGHT>
811.5

> <EXACT_MASS>
813.83674755

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
4.932886848468115

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tris(λ²-lead(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>
0

> <JCHEM_TRADITIONAL_IUPAC>
tris(λ²-lead(2+) ion) diphosphate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0333

> <NAME>
Lead phosphate

> <CAS>
7446-27-7

> <SYNONYMS>
Lead phosphic acid; Lead(2+) phopshate; Lead(II) phosphate; Pb3(PO4)2

> <TYPES>
Inorganic Compound; Lead Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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