(R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid

HCID 637603CAS 6368-20-3

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N[C@H](CO)C(=O)O
InChIKey: FHOAKXBXYSJBGX-RXMQYKEDSA-N
Summenformel: C8H15NO5
Durchschnittliche Molmasse: 205,21 g/mol
Monoisotopische Masse: 205,09502258

Überblick

See also: N-tert-butoxycarbonylamino-3-hydroxypropionic acid (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: (R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid
IUPAC: (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Englischer Name: Boc-D-Serine
Summenformel: C8H15NO5
Molmasse: 205.21

Namen und Synonyme

(R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acidN-[(1,1-Dimethylethoxy)carbonyl]-D-serineN-((1,1-Dimethylethoxy)carbonyl)-D-serineRefChem:407233613-313-8Boc-D-serine6368-20-3Boc-D-Ser-OHN-Boc-D-serineN-(tert-Butoxycarbonyl)-D-serine(tert-butoxycarbonyl)-D-serineMFCD00063142

Weitere Namen anzeigen

OC-D-SerineBOC-D-SERINE H2ON-T-BOC-D-SERINE

(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidBoc-D-SerN-tert-Butoxycarbonyl-D-serineN-Boc-(D)-serineD-Serine, N-[(1,1-dimethylethoxy)carbonyl]-DTXSID10348465FD3065(R)-2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid

Datenbank-Bezeichner

CAS: 6368-20-3
PubChem CID: 637603
DTXSID: DTXSID10348465
UNII: B7N4S576WF
EC Number: 444-670-6、613-313-8
Nikkaji: J265.557H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 95,9 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 5
Schwere Atome: 14
Formalladung: 0
Komplexität: 220

Physikochemische Eigenschaften

Schmelzpunkt: 91 · 91-95 °C(lit.)
Siedepunkt: 343.88 °C · 343.88°C (rough estimate)
Dichte: 1.2977 · 1.2977 (rough estimate)
Brechungsindex: 1.454 · 1.4540 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.62 · 3.62±0.10(Predicted)
Farbe: White
Wasserlöslichkeit: almost transparency
BRN: 1874714 · 1874714
Major Application: peptide synthesis
InChI: InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1
InChIKey: FHOAKXBXYSJBGX-RXMQYKEDSA-N
SMILES: C(O)(=O)[C@@H](CO)NC(OC(C)(C)C)=O
CAS Datenbank: 6368 · 6368-20-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.

Danger

H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.