Ethyl (3R,4R,5S)-5-acetamido-4-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
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Basic information
- CAS
2254819-34-4- Standard SMILES
C=CCN(CC=C)[C@@H]1[C@@H](NC(C)=O)CC(C(=O)OCC)=C[C@H]1OC(CC)CC- InChIKey
WKPPBEHSYVUAHF-PWRODBHTSA-N- Molecular formula
- C22H36N2O4
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.26750763
Names & identifiers
- Preferred name
- Ethyl (3R,4R,5S)-5-acetamido-4-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
- IUPAC
- ethyl (3R,4R,5S)-5-acetamido-4-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylate
- English name
- Oseltamivir Impurity 15
- Molecular formula
- C22H36N2O4
- Molecular weight
- 392.53
Names & synonyms
Ethyl (3R,4R,5S)-5-acetamido-4-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate2254819-34-4SCHEMBL28887274CS-0164903(3R,4R,5S)-ethyl 5-acetamido-4-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate(3R,4R,5S)-Ethyl 5-acetamido-4-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate (Oseltamivir Impurity pound(c)Oseltamivir Impurity 15Oseltamivir Phosphate RRR-isomer(3S,4R,5R)-ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate(3R,4R,5S)-Ethyl 5-acetamido-4-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate (Oseltamivir Impurity）1-Cyclohexene-1-carboxylic acid, 5-(acetylamino)-4-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-
Database identifiers
- CAS
2254819-34-4- PubChem CID
- 142499971
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 559
Physicochemical properties
- Boiling point
- 527.1 · 527.1±50.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 14.86 · 14.86±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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