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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 14255-61-9, Disodium methanehydroxydiphosphonate, H852yk87wp, Sodium (hydroxymethylene)bis(hydrogen phosphonate), Disodium (hydroxymethylene)diphosphonate, Disodium;hydroxy-[hydroxy-[hydroxy(oxido)phosphoryl]methyl]phosphinate

Molecular Formula

CH₄Na₂O₇P₂

Molecular Weight

235.97 g/mol

InChI Key

VKKZUCSEWNITRU-UHFFFAOYSA-L

FDA UNII

H852YK87WP

1 2D Structure

Disodium Methanehydroxydiphosphonate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;hydroxy-[hydroxy-[hydroxy(oxido)phosphoryl]methyl]phosphinate

2.1.2 InChI

InChI=1S/CH6O7P2.2Na/c2-1(9(3,4)5)10(6,7)8;;/h1-2H,(H2,3,4,5)(H2,6,7,8);;/q;2*+1/p-2

2.1.3 InChI Key

VKKZUCSEWNITRU-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+]

2.2 Other Identifiers

2.2.1 UNII

H852YK87WP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,1-hydroxymethyldiphosphonate

2. Disodium (hydroxymethylene)diphosphonate

3. Disodium Methane Hydroxy-diphosphonate

4. Disodium Methane-1-hydroxy-1,1-diphosphonate

5. Hydroxymethanediphosphonic Acid

6. Hydroxymethanediphosphonic Acid, 14c-labeled

7. Hydroxymethanediphosphonic Acid, Disodium Salt

8. Hydroxymethanediphosphonic Acid, Monosodium Salt

9. Hydroxymethanediphosphonic Acid, Tetrasodium Salt

10. Hydroxymethanediphosphonic Acid, Trisodium Salt

11. Hydroxymethylene Bisphosphonate

12. Methylhydroxydiphosphonate

13. Mhdp

2.3.2 Depositor-Supplied Synonyms

1. 14255-61-9

2. Disodium Methanehydroxydiphosphonate

3. H852yk87wp

4. Sodium (hydroxymethylene)bis(hydrogen Phosphonate)

5. Disodium (hydroxymethylene)diphosphonate

6. Disodium;hydroxy-[hydroxy-[hydroxy(oxido)phosphoryl]methyl]phosphinate

7. Oxidronate Sodium

8. Sodium Oxidronate

9. Oxidronic Acid Sodium Salt

10. Unii-h852yk87wp

11. Oxidronate Disodium [ii]

12. Dtxsid80931520

13. Oxidronate Sodium [vandf]

14. Oxidronate Disodium [mart.]

15. Oxidronate Disodium [who-dd]

16. Oxidronic Acid Sodium Salt [mi]

17. (hydroxymethylen)diphosphonsaeure Dinatriumsalz

18. A937799

19. Phosphonic Acid, (hydromethylene)bis-, Disodium Salt

20. Q27279752

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	CH₄Na₂O₇P₂
Molecular Weight	235.97 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	235.92276502 g/mol
Monoisotopic Mass	235.92276502 g/mol
Topological Polar Surface Area	141 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3