ZCZ
Summary
| Name: | 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose |
| Formula: | C11 H21 N O7 |
| Formal charge: | 0 |
| Formula weight: | 279.287 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose |
| OpenEye OEToolkits | 1.7.6 | (2R)-N-[(2R,3S,4S,5S,6S)-5-methoxy-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,4-bis(oxidanyl)butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1C(OC(O)C(OC)C1O)C)C(O)CCO |
| InChI | InChI | 1.03 | InChI=1S/C11H21NO7/c1-5-7(12-10(16)6(14)3-4-13)8(15)9(18-2)11(17)19-5/h5-9,11,13-15,17H,3-4H2,1-2H3,(H,12,16)/t5-,6-,7-,8+,9+,11+/m1/s1 |
| InChIKey | InChI | 1.03 | BYURRTCQJAPYFR-CWJAVHARSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@@H]1[C@@H](O)O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C@@H]1O |
| SMILES | CACTVS | 3.370 | CO[CH]1[CH](O)O[CH](C)[CH](NC(=O)[CH](O)CCO)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H](CCO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(C(C(O1)O)OC)O)NC(=O)C(CCO)O |
