D-Alanin
D-Alanine
Grundinformationen
- CAS
338-69-2- 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
- Lokaler Name
- D-Alanin
- Englischer Name
- D-Alanine
- Summenformel
- C3H7NO2
- Molmasse
- 89.09
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
H-D-ALA-OH(R)-2-aMinopropanoic acidD-alaine(R)-AlanineD-ALCanefCranoc
(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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- 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
Physikochemische Eigenschaften
- Schmelzpunkt
- 291 °C · 291 °C (dec.)(lit.)
- Siedepunkt
- 212.9 · 212.9±23.0 °C(Predicted)
- Dichte
- 1.431 · 1.4310 (estimate)
- Brechungsindex
- -14 ° · -14 ° (C=2, 6mol/L HCl)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 2 O: · H2O: soluble
- Aggregatzustand
- Crystalline Powder or Crystals
- pka
- 2.31 · 2.31±0.10(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Regulatory Information
Chemical: D-Alanine
D-Alanine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - D-Alanine: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29224995
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationD-Alanine: ACTIVE
Anwendungen
VerwendenD-Alanine is essential for the biosynthesis of peptidoglycan crosslinking sub-units that are used for bacterial cell walls.
Darstellung
synthetischeD-Alanine can be obtained by hydrolysis and refining of proteins such as gelatin, sericin and corn protein, or it can be synthesized by chemical methods.
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