N-Boc-D-serine methyl ester

HCID 377723CAS 95715-85-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COC(=O)[C@@H](CO)NC(=O)OC(C)(C)C
InChIKey: SANNKFASHWONFD-ZCFIWIBFSA-N
Summenformel: C9H17NO5
Durchschnittliche Molmasse: 219,23 g/mol
Monoisotopische Masse: 219,11067264

Namen und Bezeichner

Bevorzugter Name: N-Boc-D-serine methyl ester
IUPAC: methyl (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Englischer Name: Boc-D-Ser-OMe
Summenformel: C9H17NO5
Molmasse: 219.24

Namen und Synonyme

N-BOC-D-Serine methyl esterRefChem:829332810-610-695715-85-8BOC-D-SER-OMEBOC-D-Serine methyl esterN-(tert-Butoxycarbonyl)-D-serine methyl ester(R)-methyl 2-(tert-butoxycarbonylamino)-3-hydroxypropanoateMFCD00270516(R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoatemethyl (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateMETHYL N-BOC-D-SERINATE

Weitere Namen anzeigen

)-D-serine methyLBoc-D-Ser-OMe(Oil)N-BOC-D-ser-methylesterN-D-serine methyl esterN-BOC-D-serine methylesterN-FmocD-serine methylester

D-Serine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl estermethyl (2R)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoateMethyl (tert-butoxycarbonyl)-D-serinateAC-24070PD196118methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoateN-tert-Butoxycarbonyl-D-Serine Methyl EsterB4859

Datenbank-Bezeichner

CAS: 95715-85-8
PubChem CID: 377723
DTXSID: DTXSID00327481
UNII: BB6YGX76JZ
EC Number: 810-610-6
Nikkaji: J1.410.241H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 84,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 6
Schwere Atome: 15
Formalladung: 0
Komplexität: 233

Physikochemische Eigenschaften

Siedepunkt: 215 °C · 215 °C(lit.)
Dichte: 1.08 g/mL · 1.08 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.453(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Liquid
pka: 10.7 · 10.70±0.46(Predicted)
Farbe: Colorless to yellow
Major Application: peptide synthesis
InChI: InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)/t6-/m1/s1
InChIKey: SANNKFASHWONFD-ZCFIWIBFSA-N
SMILES: C(OC)(=O)[C@@H](CO)NC(OC(C)(C)C)=O
CAS Datenbank: 95715 · 95715-85-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.