D-Alanine

HCID 71080CAS 338-69-2

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Grundinformationen

Standard-SMILES: C[C@@H](N)C(=O)O
InChIKey: QNAYBMKLOCPYGJ-UWTATZPHSA-N
Summenformel: C3H7NO2
Durchschnittliche Molmasse: 89,09 g/mol
Monoisotopische Masse: 89,04767846

Überblick

D-alanine is the D-enantiomer of alanine. It has a role as an Escherichia coli metabolite, a human metabolite and an EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor. It is an alanine and a D-alpha-amino acid. It is a conjugate base of a D-alaninium. It is a conjugate acid of a D-alaninate. It is an enantiomer of a L-alanine. It is a tautomer of a D-alanine zwitterion.

Namen und Bezeichner

Bevorzugter Name: D-Alanine
IUPAC: (2R)-2-aminopropanoic acid

Namen und Synonyme

D-alanine338-69-2(2R)-2-aminopropanoic acidD-2-Aminopropionic acidD-AlaD-alpha-AlanineAlanine, D-Alanine D-form(R)-2-Aminopropionic acidD-(-)-AlanineD-alpha-AminopropionsaeureD-Alanin

Weitere Namen anzeigen

(R)-2-AminopropionsaeureD-alpha-aminopropionic acidD-.alpha.-AlanineDTXSID3045649UNII-E3UDS4613UD(-)-alpha-AlanineD(-)-.alpha.-AlanineEINECS 206-418-1

Datenbank-Bezeichner

CAS: 338-69-2
PubChem CID: 71080
DTXSID: DTXSID3045649
ChEMBL: CHEMBL66693
ChEBI: CHEBI:15570
UNII: E3UDS4613U
EC Number: 206-418-1
Nikkaji: J9.190A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 61,8

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

LogP-2.912

Solubility165.0 mg/mL

Melting Point292 °C

Physical DescriptionSolid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.

Warning

H315 (33.3%): 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.