69I
Summary
| Name: | beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate |
| Synonyms: | [(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]methyl dihydrogen phosphate |
| Formula: | C7 H17 O15 P3 |
| Formal charge: | 0 |
| Formula weight: | 434.122 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H17O15P3/c8-1-3-6(21-24(13,14)15)7(22-25(16,17)18)5(9)4(20-3)2-19-23(10,11)12/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t3-,4+,5+,6-,7-/m1/s1 |
| InChIKey | InChI | 1.06 | OTRMZOXLRJYKRS-VOQCIKJUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](CO[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](CO[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)COP(=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)COP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O |
