0CM

but-2-yn-1-yl trihydrogen diphosphate

Created:	2011-12-08
Last modified:	2012-08-31

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1 entries where 0CM 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 0CM

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Chemical Component Summary
Name	but-2-yn-1-yl trihydrogen diphosphate
Systematic Name (OpenEye OEToolkits)	but-2-ynyl phosphono hydrogen phosphate
Formula	C₄ H₈ O₇ P₂
Molecular Weight	230.05
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OP(=O)(OCC#CC)O
SMILES	CACTVS	3.370	CC#CCO[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC#CCOP(=O)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.370	CC#CCO[P](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC#CCOP(=O)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h4H2,1H3,(H,8,9)(H2,5,6,7)
InChIKey	InChI	1.03	MMKJTWNLJFDOFE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	52917873

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