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MDN : Summary
Code
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MDN
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One-letter code
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X
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Molecule name
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METHYLENEDIPHOSPHONIC ACID
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Systematic names
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Formula
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C H6 O6 P2
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Formal charge
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0
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Molecular weight
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176.002 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(O)CP(=O)(O)O |
SMILES
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CACTVS |
3.341 |
O[P](O)(=O)C[P](O)(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(P(=O)(O)O)P(=O)(O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[P](O)(=O)C[P](O)(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(P(=O)(O)O)P(=O)(O)O |
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IUPAC InChI | InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7) |
IUPAC InChI key | MBKDYNNUVRNNRF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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15 (9 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2001-01-16
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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