Mrv0541 02241205232D          

  8  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8286   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286   -2.4750    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0036   -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
M  CHG  6   1   1   2   1   3   1   4  -1   6  -1   7  -1
M  END
> <DATABASE_ID>
T3D1647

> <DATABASE_NAME>
t3db

> <SMILES>
[Na+].[Na+].[Na+].[O-][V]([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/3Na.4O.V/q3*+1;;3*-1;

> <INCHI_KEY>
IHIXIJGXTJIKRB-UHFFFAOYSA-N

> <FORMULA>
Na3O4V

> <MOLECULAR_WEIGHT>
183.9084

> <EXACT_MASS>
183.892931188

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.997719400042612

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trisodium oxovanadiumtris(olate)

> <JCHEM_LOGP>
-1.9599999999999993

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.126676695429257

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.303960797880958

> <JCHEM_POLAR_SURFACE_AREA>
86.25

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
trisodium vanadate(3-)

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1647

> <NAME>
Sodium orthovanadate

> <CAS>
13721-39-6

> <SYNONYMS>
Decavanadate; Metavanadate; Monovanadate; Na3VO4; Orthovanadate; Sodium o-vanadate; Sodium orthovanadic acid; Sodium pervanadate; sodium tetraoxidovanadate(3-); sodium tetraoxovanadate(3-); Sodium vanadate; Sodium vanadate (ortho); Sodium vanadate(V) (Na3VO4); Sodium vanadate(V) (Na3VO4) (6CI); Sodium vanadium oxide; Sodium vanadium oxide (Na3VO4); Trisodium orthovanadate; Trisodium tetraoxovanadate; Trisodium trioxido(oxo)vanadium; Trisodium vanadate; Vanadate (vo4(3-)), trisodium; Vanadate(VO4(3-)), trisodium; Vanadate, sodium; Vanadic acid (H3vo4), sodium salt; Vanadic acid (H3vo4), trisodium salt; Vanadic acid (H3vo4), trisodium salt (8ci); Vanadic acid, trisodium salt

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

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