2JA

[(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid

Created:	2013-10-28
Last modified:	2014-04-23

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1 entries where 2JA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	0

2D diagram of 2JA

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Chemical Component Summary
Name	[(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid
Systematic Name (OpenEye OEToolkits)	[(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid
Formula	C₆ H₁₄ O₇ P₂
Molecular Weight	260.119
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(CO)=CCC[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=CCCP(=O)(O)OP(=O)(O)O)CO
Canonical SMILES	CACTVS	3.385	C\C(CO)=C/CC[P](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C/C(=C\CCP(=O)(O)OP(=O)(O)O)/CO
InChI	InChI	1.03	InChI=1S/C6H14O7P2/c1-6(5-7)3-2-4-14(8,9)13-15(10,11)12/h3,7H,2,4-5H2,1H3,(H,8,9)(H2,10,11,12)/b6-3+
InChIKey	InChI	1.03	YYYUHBYKZCBOPY-ZZXKWVIFSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4302450
PubChem	9901847
ChEMBL	CHEMBL4302450

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