2PO

PHOSPHONATE

Created:	2003-05-08
Last modified:	2011-06-04

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7 entries where 2PO is found as a standalone ligand4 entries where 2PO is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	-2
Atom Count	5
Chiral Atom Count	0
Bond Count	4
Aromatic Bond Count	0

2D diagram of 2PO

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Chemical Component Summary
Name	PHOSPHONATE
Systematic Name (OpenEye OEToolkits)	n/a
Formula	H O₃ P
Molecular Weight	79.98
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]P([O-])=O
SMILES	CACTVS	3.341	[O-][PH]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	[O-]P(=O)[O-]
Canonical SMILES	CACTVS	3.341	[O-][PH]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	[O-]P(=O)[O-]
InChI	InChI	1.03	InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2
InChIKey	InChI	1.03	ABLZXFCXXLZCGV-UHFFFAOYSA-L

Related Resource References

Resource Name	Reference
PubChem	406
CCDC/CSD	ILUBIB, IYAPUW

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