A1EAX
Summary
| Name: | (2~{S},3~{R},4~{S},5~{R},6~{R})-5-[[(1~{S},4~{R},5~{S},6~{S})-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-oxane-2,3,4-triol |
| Formula: | C13 H23 N O8 |
| Formal charge: | 0 |
| Formula weight: | 321.324 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{S},5~{R},6~{R})-5-[[(1~{S},4~{R},5~{S},6~{S})-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-oxane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7+,8-,9+,10+,11+,12-,13+/m1/s1 |
| InChIKey | InChI | 1.06 | RBZIIHWPZWOIDU-NLVRWMLHSA-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(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=C(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([C@H]([C@@H]([C@H]2O)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C(C2O)O)O)CO |
