Cis-4-Hydroxy-D-Proline

HCID 440014CAS 2584-71-6

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Grundinformationen

Standard-SMILES: O=C(O)[C@H]1C[C@@H](O)CN1
InChIKey: PMMYEEVYMWASQN-QWWZWVQMSA-N
Summenformel: C5H9NO3
Durchschnittliche Molmasse: 131,13 g/mol
Monoisotopische Masse: 131,05824315

Namen und Bezeichner

Bevorzugter Name: Cis-4-Hydroxy-D-Proline
IUPAC: (2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid

Namen und Synonyme

cis-4-Hydroxy-D-proline2584-71-6(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid(4R)-4-hydroxy-D-prolineD-PROLINE, 4-HYDROXY-, (4R)-(R)-allo-Hydroxyproline4-Hydroxy-D-alloprolineCHEBI:16231EINECS 219-963-5NSC 524341DTXSID20180494ALLO-4-HYDROXY-D-PROLINE

Weitere Namen anzeigen

RefChem:577351DTXCID30102985(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate219-963-5h-d-cis-hyp-ohMFCD00005252CHEMBL1229563(2R,4R)-4-hydroxypyrrolidinium-2-carboxylate

Datenbank-Bezeichner

CAS: 2584-71-6
PubChem CID: 440014
DTXSID: DTXSID20180494
ChEMBL: CHEMBL1229563
ChEBI: CHEBI:16231
EC Number: 219-963-5
Nikkaji: J192.095B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,3
Polarare Oberfläche (TPSA): 69,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 125

Experimentelle und physikochemische Eigenschaften

Collision Cross Section · 3 Einträge

124.3 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；130.6 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；128.3 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

122.02 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；128.4 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

124.6 Å² [M-H]-；130.6 Å² [M+Na]+；128.4 Å² [M+H]+

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；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.