Cis-4-Hydroxy-D-Proline

HCID 440014CAS 2584-71-6

기본 정보

표준 SMILES: O=C(O)[C@H]1C[C@@H](O)CN1
InChIKey: PMMYEEVYMWASQN-QWWZWVQMSA-N
분자식: C5H9NO3
평균 분자량: 131.13 g/mol
단동위원소 질량: 131.05824315

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -3.3
극성 표면적: 69.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

Collision Cross Section · 3건

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]+

안전 및 규제

GHS 분류

GHS Classification · 6건

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.