N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine
Basic information
- CAS
13139-16-7- Standard SMILES
CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
QJCNLJWUIOIMMF-JGVFFNPUSA-N- Molecular formula
- C11H21NO4
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.14705815
Names & identifiers
- Preferred name
- N-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucine
- IUPAC
- (2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
- English name
- Boc-D-allo-Ile-OH
- Molecular formula
- C11H21NO4
- Molecular weight
- 231.29
Names & synonyms
55780-90-0N-[(1,1-Dimethylethoxy)carbonyl]-D-alloisoleucineN-((1,1-Dimethylethoxy)carbonyl)-D-alloisoleucineRefChem:359497BOC-D-allo-IsoleucineBOC-D-ALLO-ILE-OH(2R,3S)-2-((tert-Butoxycarbonyl)amino)-3-methylpentanoic acidN-tert-Butoxycarbonyl-D-alloisoleucineMFCD00237543(tert-Butoxycarbonyl)-D-alloisoleucineEINECS 236-074-8AS-49220
Show more names
Boc-D-allo-lle-OHBoc-D-allo-isoleucine99%BOC-D-ALLO-ILE-OH HYDRATEBOC-D-ALLO-ILE-OH USP/EP/BP(Tert-Butoxy)Carbonyl D-Allo-Ile-OH
(2R,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanoic acidCS-0158739tert-ButoxycarbonylisoleucineIsoleucine, N-carboxy-, N-tert-butyl ester, L-(2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid(2R,3S)-2-(tert-butoxycarbonylamino)-3-methylpentanoic acidn-(tert-butoxycarbonyl)-d-alloisoleucinetert-Butyloxycarbonylisoleucine
Database identifiers
- CAS
13139-16-7、55780-90-0- PubChem CID
- 83171
- DTXSID
DTXSID301233370- Nikkaji
- J1.731.920E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 66 · 66-67 °C
- Boiling point
- 356 · 356.0±25.0 °C(Predicted)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 4.03 · 4.03±0.22(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…