Isonicotinoylhydrazine glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(pyridine-4-carbonyl)hydrazinyl]oxane-2-carboxylic acid
Also Known As: INHG|Isonicotinoylhydrazine glucuronide|(2-aminonaphthalen-1-yl) dihydrogen phosphate|(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(pyridine-4-carbonyl)hydrazinyl]oxane-2-carboxylic acid|alpha-D-Glucopyranuronic acid, 1-deoxy-1-(2-(4-pyridinylcarbonyl)hydrazino)-|N,N-dimethyl-2-[(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)oxy]ethanamine|(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-(pyridine-4-carbonyl)hydrazin-1-yl]oxane-2-carboxylic acid
| Molecular Formula | C12H15N3O7 |
|---|---|
| Molecular Weight | 313.091 g/mol |
| LogP | -2.7918 |
| Topological Polar Surface Area | 161.24 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.091 |
| Monoisotopic Mass | 313.091 |
| Heavy Atoms | 22 |
| Complexity | 540.78125 |
Chemical Identifiers
| CAS Number | 3208-57-9 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)NN[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
Product Overview
Isonicotinoylhydrazine glucuronide (CAS 3208-57-9), with molecular formula C12H15N3O7 and molecular weight 313.091 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(pyridine-4-carbonyl)hydrazinyl]oxane-2-carboxylic acid.