2-acetamido-2-deoxy-beta-D-allopyranose
PubChem CID: 445246
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| Compound Synonyms | 2-acetamido-2-deoxy-beta-D-allopyranose, 2-acetylamino-2-deoxy-b-D-allopyranose, DB03109, PD042005, 2-(acetylamino)-2-deoxy-beta-D-allopyranose |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | N-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -1.7 |
| Is Pains | False |
| Molecular Formula | C8H15NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVRNDRQMDRJTHS-UIAUGNHASA-N |
| Fcsp3 | 0.875 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 2-acetamido-2-deoxy-beta-D-allopyranose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 221.09 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 221.09 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 221.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.28269579999999966 |
| Inchi | 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 |
| Smiles | CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O)CO)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients