N-(4-Nitrophenyl)valienamine
(2R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-(4-nitroanilino)cyclohex-3-en-1-one
Also Known As: N-(4-Nitrophenyl)valienamine|KST-1A9231|(2r,5s,6s)-2,6-dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]cyclohex-3-en-1-one|(2R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-(4-nitroanilino)cyclohex-3-en-1-one|2,6-dihydroxy-3-(hydroxymethyl)-5-(4-nitroanilino)cyclohex-3-en-1-one|3-Cyclohexen-1-one, 2,6-dihydroxy-3-(hydroxymethyl)-5-((4-nitrophenyl)amino)-, (2R-(2alpha,5alpha,6alpha))-
| Molecular Formula | C13H14N2O6 |
|---|---|
| Molecular Weight | 294.08517 g/mol |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.08517 |
| Monoisotopic Mass | 294.08517 |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 98449-05-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N[C@H]2C=C([C@H](C(=O)[C@H]2O)O)CO)[N+](=O)[O-] |
| InChIKey | MSMFDSDKVJHLJB-TUAOUCFPSA-N |
Product Overview
N-(4-Nitrophenyl)valienamine (CAS 98449-05-9), with molecular formula C13H14N2O6 and molecular weight 294.08517 g/mol. IUPAC: (2R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-(4-nitroanilino)cyclohex-3-en-1-one.
N-(4-Nitrophenyl)valienamine is a custom synthesis product. We offer services from milligram to kilogram scale.
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