Mrv1652309032023582D 9 8 0 0 0 0 999 V2000 0.1105 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 M END > <DATABASE_ID> CDB005103 > <DATABASE_NAME> CDB > <SMILES> OP(O)(=O)OP(O)(O)=O > <INCHI_IDENTIFIER> InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6) > <INCHI_KEY> XPPKVPWEQAFLFU-UHFFFAOYSA-N > <FORMULA> H4O7P2 > <MOLECULAR_WEIGHT> 177.9751 > <EXACT_MASS> 177.943225506 > <JCHEM_ACCEPTOR_COUNT> 6 > <JCHEM_ATOM_COUNT> 13 > <JCHEM_AVERAGE_POLARIZABILITY> 10.276038338742834 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 4 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (phosphonooxy)phosphonic acid > <JCHEM_LOGP> -1.4419023016666666 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> -3 > <JCHEM_PKA> 3.060391741362254 > <JCHEM_PKA_STRONGEST_ACIDIC> 1.7026764435673858 > <JCHEM_POLAR_SURFACE_AREA> 124.29000000000002 > <JCHEM_REFRACTIVITY> 25.5248 > <JCHEM_ROTATABLE_BOND_COUNT> 2 > <JCHEM_RULE_OF_FIVE> 1 > <JCHEM_TRADITIONAL_IUPAC> pyrophosphoric acid > <JCHEM_VEBER_RULE> 0 > <Cannabis Database ID> CDB005103 > <GENERIC_NAME> Pyrophosphate $$$$