PRD_900073
Summary
| Name: | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan- 3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Formula: | C12 H21 F O10 |
| Fomular weight: | 344.288 |
| Component type: | saccharide |
| Polymer sequences: | TUP, GLC |
| Non-polymer components: | |
| BIRD class: | Substrate analog |
| Represented as: | branched |
| Description: | oligosaccharide |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan- 3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H21FO10/c13-5-7(17)11(20)21-4(2-15)10(5)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11+,12-/m1/s1 |
| InChIKey | InChI | 1.06 | VTFMBBVCESUVNC-MZIZBZDASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](O[C@H]2[C@H](F)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O[CH]2[CH](F)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2F)O)O)CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)OC2C(OC(C(C2F)O)O)CO)O)O)O)O |
