6LA
Summary
| Name: | methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside |
| Formula: | C12 H19 N O8 |
| Formal charge: | 0 |
| Formula weight: | 305.281 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside |
| OpenEye OEToolkits | 2.0.4 | (2~{S},4~{a}~{R},6~{R},7~{S},8~{R},8~{a}~{S})-7-acetamido-6-methoxy-2-methyl-8-oxidanyl-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)NC2C(O)C1OC(C(O)=O)(C)OCC1OC2OC |
| InChI | InChI | 1.03 | InChI=1S/C12H19NO8/c1-5(14)13-7-8(15)9-6(20-10(7)18-3)4-19-12(2,21-9)11(16)17/h6-10,15H,4H2,1-3H3,(H,13,14)(H,16,17)/t6-,7+,8-,9-,10-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | KCXDWSUMIHDAQQ-KFRVFMFJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1O[C@@H]2CO[C@@](C)(O[C@H]2[C@H](O)[C@@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=O)NC1C(C2C(COC(O2)(C)C(=O)O)OC1OC)O |
