N-tert-Butoxycarbonyl-D-methionin

N-(tert-Butyloxycarbonyl)-D-methionine

HCID 111051

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Grundinformationen

CAS: 5241-66-7
Standard-SMILES: CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: IMUSLIHRIYOHEV-SSDOTTSWSA-N
Summenformel: C10H19NO4S
Durchschnittliche Molmasse: 249,33 g/mol
Monoisotopische Masse: 249,10347926

Namen und Bezeichner

Bevorzugter Name: N-(tert-Butyloxycarbonyl)-D-methionine
IUPAC: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
Lokaler Name: N-tert-Butoxycarbonyl-D-methionin
Englischer Name: BOC-D-Methionine
Summenformel: C10H19NO4S
Molmasse: 249.33

Namen und Synonyme

N-tert-Butoxycarbonyl-D-methionineEINECS 226-043-7N-(TERT-BUTYLOXYCARBONYL)-D-METHIONINEDTXSID401285150RefChem:828708DTXCID501715837226-043-75241-66-7Boc-D-Met-OHBoc-D-methionineN-Boc-D-methionineN-(tert-Butoxycarbonyl)-D-methionine

Weitere Namen anzeigen

BOC-D-METn-box-d-methionineBoc-D-methionine99%BOC-D-Methionine,98%N-Boc-D-methionine, 98+%

MFCD00038256(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid(TERT-BUTOXYCARBONYL)-D-METHIONINED-METHIONINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-(R)-2-((tert-Butoxycarbonyl)amino)-4-(methylthio)butanoic acidN-t-butyloxycarbonyl D-methionine(2R)-2-{[(tert-butoxy)carbonyl]amino}-4-(methylsulfanyl)butanoic acidEN300-154390

Datenbank-Bezeichner

CAS: 5241-66-7
PubChem CID: 111051
DTXSID: DTXSID401285150
UNII: SAA5B2WM8K
EC Number: 226-043-7
Nikkaji: J269.482D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 101 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 7
Schwere Atome: 16
Formalladung: 0
Komplexität: 250

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-50 °C
Siedepunkt: 415.5 · 415.5±40.0 °C(Predicted)
Dichte: 1.16 · 1.160±0.06 g/cm3(Predicted)
Brechungsindex: 22 ° · 22 ° (C=1, MeOH)
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: Powder
pka: 3.83 · 3.83±0.10(Predicted)
Farbe: White to off-white
BRN: 4294122 · 4294122
Major Application: peptide synthesis
InChI: 1S/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey: IMUSLIHRIYOHEV-SSDOTTSWSA-N
SMILES: CSCC[C@@H](NC(=O)OC(C)(C)C)C(O)=O
CAS Datenbank: 5241 · 5241-66-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2930 90 98
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-Boc-D-methionine is an N-Boc-protected form of D-Methionine (M260550). D-Methionine is an isomer of L-Methionine (M260440), and is known to be a cytoprotectant against Cisplatin (C499500), an anticancer agent. D-Methionine is also used to prevent noise- and drug-induced hearing loss, as well as hair loss (all of which may also be caused by Cisplatin or aminoglycosides).