GC9
Summary
| Name: | 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid |
| Formula: | C11 H17 N O9 |
| Formal charge: | 0 |
| Formula weight: | 307.254 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S})-4-oxidanyl-3-(2-oxidanylethanoylamino)-2-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2~{ H}-pyran-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C=C(C(O)=O)OC(C1NC(CO)=O)C(C(O)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17NO9/c13-2-5(16)9(18)10-8(12-7(17)3-14)4(15)1-6(21-10)11(19)20/h1,4-5,8-10,13-16,18H,2-3H2,(H,12,17)(H,19,20)/t4-,5+,8+,9-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | FDONZIZJWIPGCO-CYVDNQRASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CO)C(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1NC(=O)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(OC(C(C1O)NC(=O)CO)C(C(CO)O)O)C(=O)O |
