18D
Summary
| Name: | 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid |
| Synonyms: | 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosonic acid 3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosonic acid; 3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosonic acid |
| Formula: | C12 H21 N O9 |
| Formal charge: | 0 |
| Formula weight: | 323.296 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid |
| OpenEye OEToolkits | 1.6.1 | (2R,4S,5R,6R)-2,4-dihydroxy-5-(propanoylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C1 |
| SMILES_CANONICAL | CACTVS | 3.352 | CCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |
| SMILES | CACTVS | 3.352 | CCC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H21NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h5-6,8-10,14-16,18,21H,2-4H2,1H3,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12+/m0/s1 |
| InChIKey | InChI | 1.03 | QZBCMZXFDLYCRV-BLMTXZDNSA-N |
