Boc-Orn(2-Cl-Z)-OH
Basic information
- CAS
118554-00-0- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1Cl)C(=O)O- InChIKey
QOWSQCSRXFQXKJ-AWEZNQCLSA-N- Molecular formula
- C18H25ClN2O6
- Average molar mass
- 400.9 g/mol
- Monoisotopic mass
- 400.1401142
Names & identifiers
- Preferred name
- Boc-Orn(2-Cl-Z)-OH
- IUPAC
- (2S)-5-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
- English name
- Boc-Orn(2-Cl-Z)-OH
- Molecular formula
- C18H25ClN2O6
- Molecular weight
- 400.85
Names & synonyms
Boc-Orn(2-Cl-Z)-OH118554-00-0MFCD00076972Boc-Orn(2-chloro-Z)-OHL-Ornithine,N5-[[(2-chlorophenyl)methoxy]carbonyl]-N2-[(1,1-dimethylethoxy)carbonyl]-(2S)-5-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acidC18H25ClN2O6Boc-Orn(2-Cl-Cbz)-OHSCHEMBL29400991SCHEMBL29401315DTXSID50428477AKOS015924219
Show more names
Boc-Orn(2-Cl-Z)BOC-ORN(CL-Z)-OHBOC-ORN(2-CI-Z)-OHBOC-L-ORN(2-CLZ)-OHBoc-L-Orn(2-Cl-CBZ)-OHBOC-ORNITHINE(2-CHLORO-Z)-OHBOC-ORN(2-CL-Z)-OH USP/EP/BP
AKOS016003084AC-8629BS-42443SY070562ST51036373A11932Boc-Orn(2-Cl-Z)-OH, >=98.0% (TLC)N(alpha)-boc-N(delta)-(2-chloro-Z)-L-ornithine
Database identifiers
- CAS
118554-00-0- PubChem CID
- 7269333
- DTXSID
DTXSID50428477
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Melting point
- 114 · 114-118 °C
- Boiling point
- 600.7 · 600.7±55.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 3.95 · 3.95±0.21(Predicted)
- optical activity
- 20 · [α]20/D 2.8±0.5°, c = 1% in acetic acid
- BRN
- 6987223 · 6987223
- CAS DataBase Reference
- 118554 · 118554-00-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
- HS Code
- 29242990 · 29242990
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
- 29242990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesBoc-Orn(2-Cl-Z)-OH, is an amino acid building block used in peptide synthesis. With a growing peptide drug market the fast, reliable synthesis of peptides is of great importance.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…