7PA

PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID)

Created:	2007-02-08
Last modified:	2011-06-04

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1 entries where 7PA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	0

2D diagram of 7PA

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Chemical Component Summary
Name	PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID)
Systematic Name (OpenEye OEToolkits)	3-phosphonopropylphosphonic acid
Formula	C₃ H₁₀ O₆ P₂
Molecular Weight	204.055
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)CCCP(=O)(O)O
SMILES	CACTVS	3.341	O[P](O)(=O)CCC[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CP(=O)(O)O)CP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[P](O)(=O)CCC[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CP(=O)(O)O)CP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)
InChIKey	InChI	1.03	PUVMVPFLXCHEOY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1230579
PubChem	437081
ChEMBL	CHEMBL1230579
CCDC/CSD	PRPHOS10

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.