BPM

4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN

Created:	1999-07-08
Last modified:	2021-03-01

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1 entries where BPM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

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Chemical Component Summary
Name	4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN
Synonyms	bis-(para-phosphophenyl)
Systematic Name (OpenEye OEToolkits)	[4-[(4-phosphonooxyphenyl)methyl]phenyl] dihydrogen phosphate
Formula	C₁₃ H₁₄ O₈ P₂
Molecular Weight	360.193
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)Oc1ccc(cc1)Cc2ccc(OP(=O)(O)O)cc2
SMILES	CACTVS	3.370	O[P](O)(=O)Oc1ccc(Cc2ccc(O[P](O)(O)=O)cc2)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.370	O[P](O)(=O)Oc1ccc(Cc2ccc(O[P](O)(O)=O)cc2)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C13H14O8P2/c14-22(15,16)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-23(17,18)19/h1-8H,9H2,(H2,14,15,16)(H2,17,18,19)
InChIKey	InChI	1.03	LGSCVLKUKMBYNC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07480
Name	4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN
Groups	experimental
Synonyms	4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Tyrosine-protein phosphatase non-receptor type 1	MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682