7D2
Summary
| Name: | (1~{R},2~{S},3~{S},4~{S},5~{S},6~{S})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol |
| Formula: | C8 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 190.194 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},2~{S},3~{S},4~{S},5~{S},6~{S})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14O5/c9-2-8-1-3(8)4(10)5(11)6(12)7(8)13/h3-7,9-13H,1-2H2/t3-,4+,5+,6-,7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | ULOOKVKTDMQWTG-JMELQFKFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@]12C[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H]2O |
| SMILES | CACTVS | 3.385 | OC[C]12C[CH]1[CH](O)[CH](O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@H]2[C@@]1([C@@H]([C@@H]([C@H]([C@H]2O)O)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C2C1(C(C(C(C2O)O)O)O)CO |
