A1L2I
Summary
| Name: | Acarviosin |
| Synonyms: | (1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol |
| Formula: | C14 H25 N O8 |
| Formal charge: | 0 |
| Formula weight: | 335.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H25NO8/c1-5-8(11(19)13(21)14(22-2)23-5)15-7-3-6(4-16)9(17)12(20)10(7)18/h3,5,7-21H,4H2,1-2H3/t5-,7+,8-,9-,10+,11+,12+,13-,14+/m1/s1 |
| InChIKey | InChI | 1.06 | KFHKERRGDZTZQJ-SHCNSHNESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1O[C@H](C)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | CO[CH]1O[CH](C)[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)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)OC)O)O)NC2C=C(C(C(C2O)O)O)CO |
