[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propyl] acetate
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Basic information
- CAS
219718-02-2- Standard SMILES
CC(=O)OC[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C- InChIKey
BYRFFEZJKJWOTK-HXUWFJFHSA-N- Molecular formula
- C22H27NO4
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.19400834
Names & identifiers
- Preferred name
- [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propyl] acetate
- IUPAC
- [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propyl] acetate
- English name
- Acetate Impurity
- Molecular formula
- C22H27NO4
- Molecular weight
- 369.45
Names & synonyms
Acetate Impurity(R)-3-([1,1''-Biphenyl]-4-yl)-2-((tert-butoxycarbonyl)amino)propyl AcetateCarbamic acid, [(1R)-2-(acetyloxy)-1-([1,1'-biphenyl]-4-ylmethyl)ethyl]-, 1,1-dimethylethyl ester (9CI)Carbamic acid, [(1R)-2-(acetyloxy)-1-([1,1-biphenyl]-4-ylmethyl)ethyl]-, 1,1-dimethylethyl esterQ: What is Carbamic acid, [(1R)-2-(acetyloxy)-1-([1,1-biphenyl]-4-ylmethyl)ethyl]-, 1,1-dimethylethyl ester Q: What is the CAS Number of Carbamic acid, [(1R)-2-(acetyloxy)-1-([1,1-biphenyl]-4-ylmethyl)ethyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
219718-02-2- PubChem CID
- 15379411
- Nikkaji
- J1.023.630D
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Boiling point
- 524.4 · 524.4±50.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 11.68 · 11.68±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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