A1AU2
Summary
| Name: | (4aR,5S,6S,8R,8aS)-6-(hydroxymethyl)-8-methoxy-2,2-dimethylhexahydro-2H-pyrano[3,4-d][1,3]dioxin-5-ol |
| Formula: | C11 H20 O6 |
| Formal charge: | 0 |
| Formula weight: | 248.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4aR,5S,6S,8R,8aS)-6-(hydroxymethyl)-8-methoxy-2,2-dimethylhexahydro-2H-pyrano[3,4-d][1,3]dioxin-5-ol |
| OpenEye OEToolkits | 2.0.7 | (4~{a}~{S},5~{R},6~{R},8~{R},8~{a}~{R})-6-(hydroxymethyl)-8-methoxy-2,2-dimethyl-4,4~{a},5,6,8,8~{a}-hexahydropyrano[3,4-d][1,3]dioxin-5-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(OC(OC)C2OC(C)(C)OCC21)CO |
| InChI | InChI | 1.06 | InChI=1S/C11H20O6/c1-11(2)15-5-6-8(13)7(4-12)16-10(14-3)9(6)17-11/h6-10,12-13H,4-5H2,1-3H3/t6-,7+,8+,9+,10+/m0/s1 |
| InChIKey | InChI | 1.06 | MBUPHAFKMSRPTD-VAPHQMJDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2COC(C)(C)O[C@@H]12 |
| SMILES | CACTVS | 3.385 | CO[CH]1O[CH](CO)[CH](O)[CH]2COC(C)(C)O[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(OC[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O1)OC)CO)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(OCC2C(C(OC(C2O1)OC)CO)O)C |
