B6K
Summary
| Name: | Biphenyl 3,3',4,4',5,5'-hexakisphosphate |
| Formula: | C12 H16 O24 P6 |
| Formal charge: | 0 |
| Formula weight: | 730.084 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | [2,3-diphosphonooxy-5-(3,4,5-triphosphonooxyphenyl)phenyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16O24P6/c13-37(14,15)31-7-1-5(2-8(32-38(16,17)18)11(7)35-41(25,26)27)6-3-9(33-39(19,20)21)12(36-42(28,29)30)10(4-6)34-40(22,23)24/h1-4H,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30) |
| InChIKey | InChI | 1.03 | XJTGIQJLTGTMQT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)Oc1cc(cc(O[P](O)(O)=O)c1O[P](O)(O)=O)c2cc(O[P](O)(O)=O)c(O[P](O)(O)=O)c(O[P](O)(O)=O)c2 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)Oc1cc(cc(O[P](O)(O)=O)c1O[P](O)(O)=O)c2cc(O[P](O)(O)=O)c(O[P](O)(O)=O)c(O[P](O)(O)=O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cc(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)c2cc(c(c(c2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)c2cc(c(c(c2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O |
