VPH
Summary
| Name: | methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate |
| Formula: | C8 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 206.193 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H14O6/c1-13-8(12)5-2-4(10)7(11)6(3-9)14-5/h4-7,9-11H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.06 | GCROCZNWGKBWPY-DBRKOABJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@H]1C[C@H]([C@H]([C@H](O1)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1CC(C(C(O1)CO)O)O |
