Mrv0541 02241205222D          

  7  5  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 V   0  2  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2411    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0661    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
M  CHG  3   2   2   3  -1   5  -1
M  END
> <DATABASE_ID>
T3D1637

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/H2O4S.O.V/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;;+2/p-2

> <INCHI_KEY>
UUUGYDOQQLOJQA-UHFFFAOYSA-L

> <FORMULA>
O5SV

> <MOLECULAR_WEIGHT>
163.004

> <EXACT_MASS>
162.890607475

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxovanadiumbis(ylium) sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
oxovanadium(IV) sulfate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1637

> <NAME>
Vanadyl sulfate

> <CAS>
27774-13-6

> <SYNONYMS>
oxidovanadium(2+) sulfate; Oxosulfatovanadium(IV); oxovanadium(2+) sulfate; Oxovanadium(IV) sulfate; oxo[sulfato(2-)-kappaO]-vanadium; oxo[sulfato(2-)-O]-vanadium; V(IV)OSO4; Vanadic sulfate; Vanadin(IV) oxide sulfate; Vanadium oxide sulfate (VO(SO4)); Vanadium oxide sulphate; Vanadium oxysulfate; Vanadium sulfate; Vanadyl sulfate (VO(SO4)); Vanadyl sulfate (VSO5); Vanadyl sulfic acid; Vanadyl sulphate; Vanadyl sulphic acid; VOSO4

> <TYPES>
Inorganic Compound; Vanadium Compound; Food Toxin; Natural Compound

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