Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)
ethyl 6-(methylamino)-4,4-diphenylheptanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Also Known As: Noracymethadol gluconate|Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1)|2-Heptanol, 6-(methylamino)-4,4-diphenyl-, acetate (ester), gluconate|Ethyl 6-(methylamino)-4,4-diphenylheptanoate--D-gluconic acid (1/1)|Gluconic acid, compd. with 6-(methylamino)-4,4-diphenyl-3-heptanol acetate (ester) (1:1)|ethyl 6-(methylamino)-4,4-diphenylheptanoate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
| Molecular Formula | C28H41NO9 |
|---|---|
| Molecular Weight | 535.27814 g/mol |
| LogP | 0.8209 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 535.27814 |
| Monoisotopic Mass | 535.27814 |
| Heavy Atoms | 38 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 7645-01-4 |
|---|---|
| SMILES | CCOC(=O)CCC(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O |
| InChIKey | VQPSMBLYBNADSP-IFWQJVLJSA-N |
Product Overview
Ethyl 6-(methylamino)-4,4-diphenylheptanoate--hexonic acid (1/1) (CAS 7645-01-4), with molecular formula C28H41NO9 and molecular weight 535.27814 g/mol. IUPAC: ethyl 6-(methylamino)-4,4-diphenylheptanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid.