B5F
Summary
| Name: | BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE |
| Formula: | C12 H15 O20 P5 |
| Formal charge: | 0 |
| Formula weight: | 634.104 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | biphenyl-2,3',4,5',6-pentayl pentakis[dihydrogen (phosphate)] |
| OpenEye OEToolkits | 1.9.2 | [2-(3,5-diphosphonooxyphenyl)-3,5-diphosphonooxy-phenyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)Oc2cc(c1c(OP(=O)(O)O)cc(OP(=O)(O)O)cc1OP(=O)(O)O)cc(OP(=O)(O)O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C12H15O20P5/c13-33(14,15)28-7-1-6(2-8(3-7)29-34(16,17)18)12-10(31-36(22,23)24)4-9(30-35(19,20)21)5-11(12)32-37(25,26)27/h1-5H,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27) |
| InChIKey | InChI | 1.03 | ZCSNVIKBMFGCLE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(c(O[P](O)(O)=O)c1)c2cc(O[P](O)(O)=O)cc(O[P](O)(O)=O)c2 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(c(O[P](O)(O)=O)c1)c2cc(O[P](O)(O)=O)cc(O[P](O)(O)=O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(cc(cc1OP(=O)(O)O)OP(=O)(O)O)c2c(cc(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c(cc(cc1OP(=O)(O)O)OP(=O)(O)O)c2c(cc(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O |
