K2Y

(2,4,5-triphosphonooxyphenyl) dihydrogen phosphate

Created:	2015-07-06
Last modified:	2018-09-26

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1 entries where K2Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

2D diagram of K2Y

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Chemical Component Summary
Name	(2,4,5-triphosphonooxyphenyl) dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)	(2,4,5-triphosphonooxyphenyl) dihydrogen phosphate
Formula	C₆ H₁₀ O₁₆ P₄
Molecular Weight	462.029
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc1O[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.6	c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc1O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-4(20-24(10,11)12)6(22-26(16,17)18)2-5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
InChIKey	InChI	1.03	OFSQKFMVBPORNX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118987002

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