RY7
Summary
| Name: | 4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose |
| Formula: | C13 H25 N O8 |
| Formal charge: | 0 |
| Formula weight: | 323.34 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{S},5~{S},6~{R})-5-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]amino]-6-methyl-oxane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(CC(C(C(C1O)O)O)CO)NC2C(C(C(O)OC2C)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H25NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h4-21H,2-3H2,1H3/t4-,5-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | PFUNPXBPUXETIR-KJEWDVBSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C[CH](CO)[CH](O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(C(C(O1)O)O)O)NC2CC(C(C(C2O)O)O)CO |
