Mrv1909 11101919232D          

  7  6  0  0  0  0            999 V2000
    1.2375    1.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3572    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
DB02453

> <DATABASE_NAME>
drugbank

> <SMILES>
[H]O[Sb](O[H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/3H2O.Sb/h3*1H2;/q;;;+3/p-3

> <INCHI_KEY>
SZOADBKOANDULT-UHFFFAOYSA-K

> <FORMULA>
H3O3Sb

> <MOLECULAR_WEIGHT>
172.78

> <EXACT_MASS>
171.912037006

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
5.761380252946589

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
stiborous acid

> <JCHEM_LOGP>
-1.6029999999999993

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.366767893368426

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.366767893368426

> <JCHEM_PKA_STRONGEST_BASIC>
-0.849054468720988

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
7.6937999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,4S,5S)-3,4-dihydroxy-5-{4-oxo-1H,5H-pyrrolo[3,2-d]pyrimidin-7-yl}pyrrolidin-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB02453

> <SECONDARY_ACCESSION_NUMBERS>
EXPT02857

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Antimonous acid

> <SYNONYMS>
Stiborous acid; Trihydroxyantimonite(III)

$$$$