030
Summary
| Name: | (3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl hydrogen carbonate |
| Formula: | C8 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 188.178 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl hydrogen carbonate |
| OpenEye OEToolkits | 1.7.2 | [(3R,3aR,5R,6aR)-3-oxidanyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-yl] hydrogen carbonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)OC2CC1C(OCC1O)C2 |
| InChI | InChI | 1.03 | InChI=1S/C8H12O5/c9-6-3-12-7-2-4(1-5(6)7)13-8(10)11/h4-7,9H,1-3H2,(H,10,11)/t4-,5-,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | QZRYMCLGPOUYKP-MVIOUDGNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1CO[C@@H]2C[C@@H](C[C@H]12)OC(O)=O |
| SMILES | CACTVS | 3.370 | O[CH]1CO[CH]2C[CH](C[CH]12)OC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1[C@H](C[C@@H]2[C@H]1[C@H](CO2)O)OC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1C(CC2C1C(CO2)O)OC(=O)O |
