Mrv0541 02241222102D          

  9  8  0  0  0  0            999 V2000
   -0.6039   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 P   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
    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
    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  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
> <DATABASE_ID>
DB04160

> <DATABASE_NAME>
drugbank

> <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_NEUTRAL_MICROSPECIES_CHARGE>
-2.881555008854674

> <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_NEUTRAL_CHARGE>
-3

> <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>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB04160

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01258; DB11055

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Pyrophosphoric acid

> <SYNONYMS>
acide diphosphorique; Diphosphoric acid; Diphosphorsäure; Pyrophosphorsäure

> <PRODUCTS>
Dr. DADDYS GumToothpaste; Dr. DADDYS Junior Toothpaste(Green grape); Dr. DADDYS Kids Tooth; Dr. DADDYS Kids Toothpaste(Raspberry flavor); Dr. DADDYS Tooth; Dr.DADDYS Junior Toothpaste(Mint flavor); Dr.NOAH SOLIDTOOTHPASTE; Dr.chois Toothpaste Care; Dr.chois Toothpaste Care Plus; Dr.chois Toothpaste Fresh; Exoden All In One; Innoble ONECHEWTOOTHPASTE; Mastikids II; Mastikis Gold II; Mastikis Qingjie Shine Mastic; Mastikis Qingxin Care Mastic; Mimibo Premium Tooth; Nlihome Dental Care; Onetooth Clinic Tooth; Onetoothclinic Tooth; Oral Projeqt O1 Toothpastetablets; Phosphotec; Pyrophosphate; Quantumtoothcare Tooth; Technescan PYP; Toosty Rucola Toothpaste; V34 Colour Corrector; Vontee

> <SALTS>
Sodium pyrophosphate; Sodium pyrophosphate decahydrate

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