CAS 7738-22-9 Boc-Ser-Otbu (HCID 7019054)

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Basic information

CAS: 7738-22-9
Standard SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OC(C)(C)C
InChIKey: NSNZHQVMWJPBPI-QMMMGPOBSA-N
Molecular formula: C12H23NO5
Average molar mass: 261.31 g/mol
Monoisotopic mass: 261.15762284

Names & identifiers

Preferred name: Boc-Ser-Otbu
IUPAC: tert-butyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
English name: Boc-L-serine tert-butyl ester
Molecular formula: C12H23NO5
Molecular weight: 261.32

Names & synonyms

Boc-Ser-Otbu7738-22-9DTXSID10427062RefChem:330064DTXCID10377896Boc-L-Serine tert-butyl esterN-Boc-L-serine tert-butyl esterMFCD00190832(S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoateL-Serine, N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl estertert-butyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoatetert-butyl (2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoate

Show more names

BOC-SER(TBU)-OHBOC-L-SER(TBU)-OHBOC-SER(BU)-OHBoc-L-Ser-OtBuBOC-SER(BUT)-OHBoc-L-Ser(tBu)-0HBOC-SERINE(TBU)-OHBOC-O-T-BUTYL-L-SERINE

tert-Butyl (tert-butoxycarbonyl)-L-serinateSCHEMBL2531297L-Serine, N-[(1,1-dimethylNSNZHQVMWJPBPI-QMMMGPOBSA-NN-boc-l-serine tertiary butyl estertert-butyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoateAKOS015998944CS-W022607

Database identifiers

CAS: 7738-22-9
PubChem CID: 7019054
DTXSID: DTXSID10427062
Nikkaji: J591.119B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 301

Physicochemical properties

Melting point: 80 ℃ · 80℃
Boiling point: 381.9 · 381.9±32.0 °C(Predicted)
Density: 1.087 · 1.087±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: Solid
pka: 10.7 · 10.70±0.46(Predicted)
color: White to off-white
InChI: InChI=1S/C12H23NO5/c1-11(2,3)17-9(15)8(7-14)13-10(16)18-12(4,5)6/h8,14H,7H2,1-6H3,(H,13,16)/t8-/m0/s1
InChIKey: NSNZHQVMWJPBPI-QMMMGPOBSA-N
SMILES: C(OC(C)(C)C)(=O)[C@H](CO)NC(OC(C)(C)C)=O
UNSPSC Code: 12352209 · 12352209
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

Uses(S)-tert-Butyl 2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoate has been used as a reactant in the synthesis of biomembrane-mimic polymers for tissue engineering or bioimplants.