Z-Asp-OMe

HCID 7021783CAS 4668-42-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1
InChIKey: MFFFBNAPQRDRQW-JTQLQIEISA-N
Summenformel: C13H15NO6
Durchschnittliche Molmasse: 281,26 g/mol
Monoisotopische Masse: 281,0899372

Namen und Bezeichner

Bevorzugter Name: Z-Asp-OMe
IUPAC: (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Englischer Name: Z-ASP-OME
Summenformel: C13H15NO6
Molmasse: 281.26

Namen und Synonyme

Z-Asp-OMe4668-42-2DTXSID80427397RefChem:388512DTXCID00378231626-932-3Z-L-Asp-OMeMFCD00083277N-Cbz-L-Aspartic acid 1-methyl ester(S)-3-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acidL-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1-methyl ester(3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

Weitere Namen anzeigen

Cbz-L-Asp-OMeZ-ASPARTIC ACID-OMEZ-ASP-OME USP/EP/BPZ-L-ASPARTIC ACID A-METHYLESTERZ-L-ASPARTIC ACID 1-METHYL ESTERCbz -L-asparticacidα-methylester

1-Methyl N-Cbz-L-aspartate(3S)-3-{[(BENZYLOXY)CARBONYL]AMINO}-4-METHOXY-4-OXOBUTANOIC ACIDCbz-Asp-OMeSCHEMBL1067460CS-W010044HY-W009328M03042N-Benzyloxycarbonyl-L-aspartic acid 1-methyl ester

Datenbank-Bezeichner

CAS: 4668-42-2
PubChem CID: 7021783
DTXSID: DTXSID80427397
EC Number: 626-932-3
Nikkaji: J1.412.347D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 102 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 8
Schwere Atome: 20
Formalladung: 0
Komplexität: 351

Physikochemische Eigenschaften

Schmelzpunkt: 89 to · 89.0 to 93.0 °C
Siedepunkt: 498.9 · 498.9±45.0 °C(Predicted)
Dichte: 1.304 · 1.304±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 4.09 · 4.09±0.19(Predicted)
Farbe: White to Almost white
BRN: 4813538 · 4813538
Major Application: peptide synthesis
InChI: 1S/C13H15NO6/c1-19-12(17)10(7-11(15)16)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,15,16)/t10-/m0/s1
InChIKey: MFFFBNAPQRDRQW-JTQLQIEISA-N
SMILES: COC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1
CAS Datenbank: 4668 · 4668-42-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.