Mrv0541 02241220102D          

 20 15  0  0  0  0            999 V2000
   -4.3273    0.3602    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.0827   -0.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0827    0.6006    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    0.6006    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6820    1.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    1.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5260    0.6006    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266    1.3218    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3273    0.6006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5260   -0.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039   -0.6006    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033   -1.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2046   -1.3218    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5609   -1.4020    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.2404   -0.5205    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6006    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -2.0835    1.4020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849    0.9212    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6061    1.4020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849    0.1206    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  8   1   1   4  -1   8  -1  13  -1  14   1  15   1  16   1  20  -1
M  END
> <DATABASE_ID>
FDB013354

> <DATABASE_NAME>
foodb

> <SMILES>
[K+].[K+].[K+].[K+].[O-]P(=O)=O.[O-]P1(=O)OP([O-])(=O)OP([O-])(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/4K.H3O9P3.HO3P/c;;;;1-10(2)7-11(3,4)9-12(5,6)8-10;1-4(2)3/h;;;;(H,1,2)(H,3,4)(H,5,6);(H,1,2,3)/q4*+1;;/p-4

> <INCHI_KEY>
KVTDAUFEDONUBB-UHFFFAOYSA-J

> <FORMULA>
K4O12P4

> <MOLECULAR_WEIGHT>
472.281

> <EXACT_MASS>
471.688848956

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
12.177240782668765

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrapotassium trioxo-1,3,5,2λ⁵,4λ⁵,6λ⁵-trioxatriphosphinane-2,4,6-tris(olate) oxophosphinate

> <JCHEM_LOGP>
-1.2653954369999998

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
1.2827363124691376

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.397829646092692

> <JCHEM_POLAR_SURFACE_AREA>
148.08

> <JCHEM_REFRACTIVITY>
29.25360000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrapotassium trimetaphosphate trioxidophosphate(1-)

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB013354

> <GENERIC_NAME>
Potassium metaphosphate

$$$$