boc-Glutaminol
Basic information
- CAS
133565-42-1- Standard SMILES
CC(C)(C)OC(=O)N[C@H](CO)CCC(N)=O- InChIKey
UHPHBGOYBNCKNT-ZETCQYMHSA-N- Molecular formula
- C10H20N2O4
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.14230712
Names & identifiers
- Preferred name
- boc-Glutaminol
- IUPAC
- tert-butyl N-[(2S)-5-amino-1-hydroxy-5-oxopentan-2-yl]carbamate
- English name
- Boc-L-glutaminol
- Molecular formula
- C10H20N2O4
- Molecular weight
- 232.28
Names & synonyms
boc-Glutaminol133565-42-1(S)-tert-Butyl (5-amino-1-hydroxy-5-oxopentan-2-yl)carbamateBoc-L-glutaminolMFCD00236849tert-Butyl (S)-(5-amino-1-hydroxy-5-oxopentan-2-yl)carbamateDTXSID40427151TERT-BUTYL N-[(2S)-4-CARBAMOYL-1-HYDROXYBUTAN-2-YL]CARBAMATEAKOS015894501AS-39052tert-butyl N-[(2S)-5-amino-1-hydroxy-5-oxopentan-2-yl]carbamateBoc-L-Gln-ol
Show more names
BOC-GLN-OLBoc-Glu-olREF DUPL: Boc-GlutaminolBOC-GLUTAMINOLBOC-GLUTAMN-ALPHA-T-BOC-L-GLUTAMINOLBOC-L-GLUTAMINOL USP/EP/BPBoc-L-glutaminol≥ 98% (HPLC)
Boc-L-glutaminol, AldrichCPRSCHEMBL14471734(S)-4-(Boc-amino)-5-hydroxypentanamideSY042615DB-022843tert-Butyl [(2S)-5-amino-1-hydroxy-5-oxopentan-2-yl]carbamatetert-butyl N-[(1S)-4-amino-1-(hydroxymethyl)-4-oxo-butyl]carbamate
Database identifiers
- CAS
133565-42-1- PubChem CID
- 7019671
- DTXSID
DTXSID40427151
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 466.7 · 466.7±40.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- 1 % · Soluble in water or 1% acetic acid
- form
- Powder
- pka
- 11.94 · 11.94±0.46(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- -10 ° · -10° (C=0.01 g/ml, MEOH)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 261 · P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
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
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- Hazard statements
- H302-H317
- Precautionary statements
- P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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