SIV
Summary
| Name: | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) |
| Formula: | C6 H8 O7 |
| Formal charge: | 0 |
| Formula weight: | 192.124 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) |
| OpenEye OEToolkits | 2.0.7 | (3~{S},3~{a}~{R},6~{a}~{S})-3,6,6,6~{a}-tetrakis(oxidanyl)-3,3~{a}-dihydro-2~{H}-furo[3,2-b]furan-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1COC2(O)C1OC(=O)C2(O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H8O7/c7-2-1-12-6(11)3(2)13-4(8)5(6,9)10/h2-3,7,9-11H,1H2/t2-,3+,6-/m0/s1 |
| InChIKey | InChI | 1.06 | QPPOKIPSRPKDEM-VPGXFDHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CO[C@@]2(O)[C@@H]1OC(=O)C2(O)O |
| SMILES | CACTVS | 3.385 | O[CH]1CO[C]2(O)[CH]1OC(=O)C2(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@@H]2[C@](O1)(C(C(=O)O2)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C2C(O1)(C(C(=O)O2)(O)O)O)O |
