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BPM

Summary
Name:4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN
Synonyms:bis-(para-phosphophenyl)
Formula:C13 H14 O8 P2
Formal charge:0
Formula weight:360.193 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methanediyldibenzene-4,1-diyl bis[dihydrogen (phosphate)]
OpenEye OEToolkits1.7.6[4-[(4-phosphonooxyphenyl)methyl]phenyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)Oc1ccc(cc1)Cc2ccc(OP(=O)(O)O)cc2
InChIInChI1.03InChI=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)
InChIKeyInChI1.03LGSCVLKUKMBYNC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O[P](O)(=O)Oc1ccc(Cc2ccc(O[P](O)(O)=O)cc2)cc1
SMILESCACTVS3.370O[P](O)(=O)Oc1ccc(Cc2ccc(O[P](O)(O)=O)cc2)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O

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PDB entries from 2024-07-10

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