tert-Butoxycarbonyl-D-leucine

HCID 637604CAS 16937-99-8

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Grundinformationen

Standard-SMILES: CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: MDXGYYOJGPFFJL-MRVPVSSYSA-N
Summenformel: C11H21NO4
Durchschnittliche Molmasse: 231,29 g/mol
Monoisotopische Masse: 231,14705815

Namen und Bezeichner

Bevorzugter Name: tert-Butoxycarbonyl-D-leucine
IUPAC: (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Englischer Name: BOC-D-Leucine monohydrate
Summenformel: C11H21NO4
Molmasse: 231.29

Namen und Synonyme

16937-99-8(2R)-2-{[(Tert-Butoxy)Carbonyl]Amino}-4-Methylpentanoic Acidtert-Butoxycarbonyl-D-leucineDTXSID501308165(2R)-2-(((tert-butoxy)carbonyl)amino)-4-methylpentanoic acidRefChem:891500DTXCID401738080834-861-6Boc-D-Leu-OHBoc-D-leucineN-Boc-D-leucineN-(tert-Butoxycarbonyl)-D-leucine

Weitere Namen anzeigen

BOC-D-LEUN-(tert-Butoxycarbonyl)-D-leucine HydrateBOC-D-LeuClneBOC-D-LEU-OH2OBOC-D-LEUCINE-OHN-T-BOC-D-LEUCINE

(tert-Butoxycarbonyl)-D-leucineD-LEUCINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-(2R)-2-(tert-Butoxycarbonylamino)-4-methyl-pentanoic acidMFCD00038294(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acidM03296(R)-2-(tert-butoxycarbonylamino)-4-methylpentanoic acid(R)-2-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid

Datenbank-Bezeichner

CAS: 16937-99-8
PubChem CID: 637604
DTXSID: DTXSID501308165
ChEMBL: CHEMBL1222066
EC Number: 834-861-6
Nikkaji: J724.101A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 16
Formalladung: 0
Komplexität: 255

Physikochemische Eigenschaften

Schmelzpunkt: 85 · 85-87 °C(lit.)
Siedepunkt: 356 · 356.0±25.0 °C(Predicted)
Dichte: 1.061 · 1.061±0.06 g/cm3(Predicted)
Brechungsindex: 25 ° · 25 ° (C=2, AcOH)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Acetic Acid (Sparingly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 4.02 · 4.02±0.21(Predicted)
Farbe: White
BRN: 2331060 · 2331060
Major Application: peptide synthesis
InChI: InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKey: MDXGYYOJGPFFJL-MRVPVSSYSA-N
SMILES: C(O)(=O)[C@@H](CC(C)C)NC(OC(C)(C)C)=O
CAS Datenbank: 16937 · 16937-99-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29241990
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-Boc-D-leucine is an N-Boc-protected form of D-Leucine (L330150). D-Leucine is an unnatural isomer of L-Leucine (L330110) that acts as an auto-inhibitor of lactic streptococci in culture. D-Leucine causes analgesia in humans and also exhibits inhibitory activity in bacterial cell cultures.