0MW

[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)

Created:	2012-03-08
Last modified:	2013-01-11

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1 entries where 0MW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	0

2D diagram of 0MW

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Chemical Component Summary
Name	[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)
Systematic Name (OpenEye OEToolkits)	[2-(hexylamino)-1-phosphono-ethyl]phosphonic acid
Formula	C₈ H₂₁ N O₆ P₂
Molecular Weight	289.203
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)C(CNCCCCCC)P(=O)(O)O
SMILES	CACTVS	3.370	CCCCCCNCC([P](O)(O)=O)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCNCC(P(=O)(O)O)P(=O)(O)O
Canonical SMILES	CACTVS	3.370	CCCCCCNCC([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCNCC(P(=O)(O)O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-7-8(16(10,11)12)17(13,14)15/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKey	InChI	1.03	QDLXIUDMSHZYCG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	19689034
ChEMBL	CHEMBL259192

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