Mrv0541 02241219402D          

 13 10  0  0  0  0            999 V2000
   -1.9976   -0.2042    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.9060   -0.2042    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0905    0.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170    0.2042    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170   -0.6129    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4984    0.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251    0.2042    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.9060    0.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7699    0.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0433    0.2042    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167    0.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6353    0.2042    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6353   -0.6129    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  4   1   1   2   1   5  -1  13  -1
M  END
> <DATABASE_ID>
FDB015387

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/B4O7.2Na/c5-1-9-3(7)11-4(8)10-2-6;;/q-2;2*+1

> <INCHI_KEY>
RPAYJVFLNVKVRS-UHFFFAOYSA-N

> <FORMULA>
B4Na2O7

> <MOLECULAR_WEIGHT>
201.219

> <EXACT_MASS>
201.981163568

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
12.41949528261889

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium oxoboranyl [(oxoboranyl boronato)oxy]boronate

> <JCHEM_LOGP>
3.4383999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.757773845544783

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.192749471804138

> <JCHEM_PKA_STRONGEST_BASIC>
-5.441245829488086

> <JCHEM_POLAR_SURFACE_AREA>
107.95

> <JCHEM_REFRACTIVITY>
9.8222

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium oxoboranyl (oxoboranyl boronato)oxyboronate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB015387

> <GENERIC_NAME>
Disodium tetraborate

$$$$