JLT
Summary
| Name: | 3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol |
| Synonyms: | [(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid |
| Formula: | C8 H18 O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 336.17 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H18O10P2/c9-6-4(1-2-19(12,13)14)18-5(3-20(15,16)17)7(10)8(6)11/h4-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)/t4-,5+,6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | BSBIMNCSLGLJLO-BZCSJUTBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1[C@@H](O)[C@H](CC[P](O)(O)=O)O[C@H](C[P](O)(O)=O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](CC[P](O)(O)=O)O[CH](C[P](O)(O)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CP(=O)(O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CP(=O)(O)O)C1C(C(C(C(O1)CP(=O)(O)O)O)O)O |
