(-)-3-(Benzyloxycarbonyl)-4-oxazolidinecarboxylic acid
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Basic information
- CAS
97534-82-2- Standard SMILES
O=C(O)[C@@H]1COCN1C(=O)OCc1ccccc1- InChIKey
XRRRGBIMHQARMF-JTQLQIEISA-N- Molecular formula
- C12H13NO5
- Average molar mass
- 251.23 g/mol
- Monoisotopic mass
- 251.07937252
Names & identifiers
- Preferred name
- (-)-3-(Benzyloxycarbonyl)-4-oxazolidinecarboxylic acid
- IUPAC
- (4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
- English name
- (S)-(-)-3-Z-4-oxazolidinecarboxylic acid
- Molecular formula
- C12H13NO5
- Molecular weight
- 251.24
Names & synonyms
97534-82-2RefChem:203735(-)-3-(Benzyloxycarbonyl)-4-oxazolidinecarboxylic acid(S)-3-((Benzyloxy)carbonyl)oxazolidine-4-carboxylic acid(S)-(-)-3-(Benzyloxycarbonyl)-4-oxazolidinecarboxylic acidMFCD00274193(4S)-3-[(Benzyloxy)carbonyl]-1,3-oxazolidine-4-carboxylic acid(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acidDTXSID60350876(S)-(+)-3-Benzyloxycarbonyl-4-oxazolidinecarboxylic acid(S)-CBZ-Oxaproline(S)-(-)-3-Z-4-OXAZOLIDINECARBOXYLIC ACID
Show more names
(S)-Z-OXAPROLINE(S)-Z-oxaproline≥ 97% (HPLC)(S)-(+)-3-CBZ-4-OXAZOLIDINECARBOXYLIC ACIDN-Cbz-(4S)-1,3-oxazolidine-4-carboxylic acid(S)-(-)-3-(benzyloxycarbonyl)-4-oxazolid-inecarbo3,4-Oxazolidinedicarboxylic acid 3-(phenylmethyl) ester
S-N-Benzyloxycarbonyl-oxaproline(S)3-(benzyloxycarbonyl)oxazolidine-4-carboxylic acidN-Cbz-4-oxa-L-prolineSCHEMBL628051(4S)-3-benzyloxycarbonyloxazolidine-4-carboxylic acidWLZ5210XRRRGBIMHQARMF-JTQLQIEISA-N(S)-(-)-3-(Benzyloxycarbonyl)-4
Database identifiers
- CAS
97534-82-2- PubChem CID
- 688328
- DTXSID
DTXSID60350876- Nikkaji
- J1.222.589J
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 74 · 74-78 °C(lit.)
- alpha
- -92 ° · -92°(20℃, c=1, CHCl3)
- Boiling point
- 454.8 · 454.8±45.0 °C(Predicted)
- Density
- 1.385 · 1.385
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.51 · 3.51±0.20(Predicted)
- form
- powder
- color
- White
- optical activity
- 20 · [α]20/D 92°, c = 1 in chloroform
- InChI
- 1S/C12H13NO5/c14-11(15)10-7-17-8-13(10)12(16)18-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)/t10-/m0/s1
- InChIKey
- XRRRGBIMHQARMF-JTQLQIEISA-N
- SMILES
- OC(=O)[C@@H]1COCN1C(=O)OCc2ccccc2
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
- wgk
- 3
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
5 records
Compound notes
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