LYY
1,5-anhydro-D-arabinitol
| Created: | 2007-10-18 |
| Last modified: | 2024-01-10 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 19 |
| Chiral Atom Count | 2 |
| Bond Count | 19 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 1,5-anhydro-D-arabinitol |
| Systematic Name (OpenEye OEToolkits) | (3R,5R)-oxane-3,4,5-triol |
| Formula | C5 H10 O4 |
| Molecular Weight | 134.13 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1COCC(O)C1O |
| SMILES | CACTVS | 3.341 | O[CH]1COC[CH](O)[CH]1O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(CO1)O)O)O |
| Canonical SMILES | CACTVS | 3.341 | O[C@@H]1COC[C@@H](O)[C@@H]1O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C1[C@H](C([C@@H](CO1)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4-/m1/s1 |
| InChIKey | InChI | 1.03 | QXAMTEJJAZOINB-QWWZWVQMSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 18602743 |
| CCDC/CSD | ZEMMUZ, ZEMNAG, ZEMNEK |
