NAA
Summary
Name: | 2-acetamido-2-deoxy-beta-D-allopyranose |
Synonyms: | N-acetyl-beta-D-allosamine 2-acetamido-2-deoxy-beta-D-allose; 2-acetamido-2-deoxy-D-allose; 2-acetamido-2-deoxy-allose; N-ACETYL-D-ALLOSAMINE |
Formula: | C8 H15 N O6 |
Formal charge: | 0 |
Formula weight: | 221.208 Da |
Component type: | D-saccharide, beta linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-(acetylamino)-2-deoxy-beta-D-allopyranose |
OpenEye OEToolkits | 1.5.0 | N-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide |
GMML | 1.0 | DAllpNAcb |
GMML | 1.0 | N-acetyl-b-D-allosamine |
PDB-CARE | 1.0 | b-D-AllpNAc |
GMML | 1.0 | AllNAc |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC1C(O)C(O)C(OC1O)CO)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@H]1O |
SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(OC1O)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7+,8-/m1/s1 |
InChIKey | InChI | 1.03 | OVRNDRQMDRJTHS-UIAUGNHASA-N |