(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
Basic information
- CAS
480424-73-5- Standard SMILES
C[C@H](c1ccccc1)N1C[C@H](CO)OC1=O- InChIKey
DLSXXQPFKFHRSW-MWLCHTKSSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- (5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
- IUPAC
- (5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
- English name
- (5R)-(Hydroxymethyl-3-((1R)-1-phenyleth&
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
480424-73-5(R)-rel-5-(Hydroxymethyl)-3-((R)-1-phenylethyl)oxazolidin-2-one(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-oneMFCD05664243637343-56-7(5R)-(Hydroxymethyl-3-[(1R)-1-phenylethyl]-2-oxazolidinone(R)-5-(Hydroxymethyl)-3-((R)-1-phenylethyl)oxazolidin-2-one(5R)-Hydroxymethyl-3-[(1R)-phenylethyl]-oxazolidin-2-one(5R)-5-(HYDROXYMETHYL)-3-[(1R)-1-PHENYLETHYL]OXAZOLIDIN-2-ONESCHEMBL14168243DTXSID50352526DLSXXQPFKFHRSW-MWLCHTKSSA-N
Show more names
3-(1'(R)-ALPHA-METHYLBENZYL)-5(R)-HYDRO&(5R)-(Hydroxymethyl-3-((1R)-1-phenyleth&(r)-5-(hydroxymethyl)-3-[(r)-α-methylbenzyl-2-oxazolidinone(5R)-(Hydroxymethyl-3-[(1R)-1-phenylethyl]-2-oxazolidinone 97%2-Oxazolidinone, 5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-, (5R)-rel-
AKOS024261860AT26271ST031680CS-0340252(5R)-(hydroxymethyl)3-[(1R)-phenylethyl]-oxazolidin-2-one(R)-5-Hydroxymethyl-3-((R)-1-phenyl-ethyl)-oxazolidin-2-one(5R)-(Hydroxymethyl-3-[(1R)-1-phenylethyl]-2-oxazolidinone, 97%(5R)-3-((1R)-1-phenylethyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Database identifiers
- CAS
480424-73-5- PubChem CID
- 728620
- DTXSID
DTXSID50352526
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 100 · 100-105 °C(lit.)
- Boiling point
- 444.379 · 444.379±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- 14.048 · 14.048±0.10(predicted)
- optical activity
- 20 · [α]20/D +32°, c = 1% in chloroform
- InChI
- 1S/C12H15NO3/c1-9(10-5-3-2-4-6-10)13-7-11(8-14)16-12(13)15/h2-6,9,11,14H,7-8H2,1H3/t9-,11-/m1/s1
- InChIKey
- DLSXXQPFKFHRSW-MWLCHTKSSA-N
- SMILES
- C[C@@H](N1C[C@H](CO)OC1=O)c2ccccc2
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 13 · 13 - Non Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 13 - Non Combustible Solids
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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