Grundinformationen
- Standard-SMILES
N[C@H](Cc1ccc(I)cc1)C(=O)O- InChIKey
PZNQZSRPDOEBMS-MRVPVSSYSA-N- Summenformel
- C9H10INO2
- Durchschnittliche Molmasse
- 291,09 g/mol
Überblick
4-iodo-D-phenylalanine is the D-enantiomer of 4-iodophenylalanine. It is an enantiomer of a 4-iodo-L-phenylalanine.
Namen und Bezeichner
- Bevorzugter Name
- 4-Iodo-D-phenylalanine
- IUPAC
- (2R)-2-amino-3-(4-iodophenyl)propanoic acid
- Englischer Name
- 4-Iodo-D-phenylalanine
- Summenformel
- C9H10INO2
- Molmasse
- 291.09
Namen und Synonyme
4-iodo-d-phenylalanine62561-75-5P-IODO-D-PHENYLALANINE(2R)-2-amino-3-(4-iodophenyl)propanoic acidD-p-Iodophenylalaninepara-iodo-d-phenylalanineCHEBI:43422RefChem:99448h-d-phe(4-i)-ohD-4-Iodophenylalanined-4-iodopheD-Phenylalanine, 4-iodo-
Weitere Namen anzeigen
2-AMINO-3-(4-IODO-PHENYL)-PROPIONIC ACIDH-D-PHE(P-I)-OHD-4-Iodo-phe-OHRARECHEM BK PT 0166
MFCD00063067(R)-2-amino-3-(4-iodophenyl)propanoic acidh-p-iodo-d-phe-oh(d)-4-iodophenyl alanine(2R)-2-azaniumyl-3-(4-bromophenyl)propanoated-phe(4-i)-ohd-4-iodo phenylalanineD-4-Iodophenylalanine;H-D-Phe(4-I)-OH
Datenbank-Bezeichner
- CAS
62561-75-5- PubChem CID
- 2733279
- ChEMBL
CHEMBL1233638- ChEBI
CHEBI:43422- UNII
- LJP8FKV9SW
- EC Number
- 675-705-5
- Nikkaji
- J732.580K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,9
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 178
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 251 °C · 251 °C (dec.)(lit.)
- Siedepunkt
- 366.8 · 366.8±32.0 °C(Predicted)
- Dichte
- 1.6914 · 1.6914 (estimate)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Powder
- pka
- 2.19 · 2.19±0.10(Predicted)
- Farbe
- Pale yellow
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
- InChIKey
- PZNQZSRPDOEBMS-MRVPVSSYSA-N
- SMILES
- C(O)(=O)[C@@H](CC1=CC=C(I)C=C1)N
- CAS Datenbank
- 62561 · 62561-75-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2922498590
- hazard_code
- Xi
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
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