Mrv0541 02241219542D          

 17  4  0  0  0  0            999 V2000
    1.9806   -2.0461    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.5942    0.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858    1.6503    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5942    2.4425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5942    1.6503    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2636    1.6503    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3858   -2.4425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007   -2.0461    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.3764   -2.4425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1685   -2.4425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1685   -1.7819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3100   -1.7819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5179   -1.7819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2343   -1.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4422   -1.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5843   -1.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3007   -0.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  4   1   1   3  -1   6  -1   8   1
M  END
> <DATABASE_ID>
DBSALT001892

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/2Na.H2O4S.10H2O/c;;1-5(2,3)4;;;;;;;;;;/h;;(H2,1,2,3,4);10*1H2/q2*+1;;;;;;;;;;;/p-2

> <INCHI_KEY>
RSIJVJUOQBWMIM-UHFFFAOYSA-L

> <FORMULA>
H20Na2O14S

> <MOLECULAR_WEIGHT>
322.195

> <EXACT_MASS>
322.036915388

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9999960608374163

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278336830096

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium decahydrate sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.896425425713869

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001892

> <NAME>
Sodium sulfate decahydrate

> <DRUG_DRUGBANK_ID>
DB09472

> <DRUG_NAME>
Sodium sulfate

> <CAS_NUMBER>
7727-73-3

> <UNII>
0YPR65R21J

$$$$