DTK
Summary
| Name: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol |
| Formula: | C14 H26 O8 |
| Formal charge: | 0 |
| Formula weight: | 322.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H26O8/c1-6-11(16)14(19)13(18)8(21-6)3-7-4-10(20-2)22-9(5-15)12(7)17/h6-19H,3-5H2,1-2H3/t6-,7+,8-,9+,10-,11+,12-,13+,14+/m0/s1 |
| InChIKey | InChI | 1.03 | ZKQNJYZBKMAROQ-UDZHPATASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1C[C@@H](C[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O1 |
| SMILES | CACTVS | 3.385 | CO[CH]1C[CH](C[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](CO)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(C(C(C(O1)CC2CC(OC(C2O)CO)OC)O)O)O |
