6II
Summary
| Name: | beta-D-glucopyranosyl 1,3,4-trisphosphate |
| Synonyms: | [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate |
| Formula: | C6 H15 O15 P3 |
| Formal charge: | 0 |
| Formula weight: | 420.096 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H15O15P3/c7-1-2-4(19-22(9,10)11)5(20-23(12,13)14)3(8)6(18-2)21-24(15,16)17/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.06 | IXJMLEYTDGNHLU-UKFBFLRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O |
