CAS 40216-83-9 4-Hydroxy-L-proline methyl ester hydrochloride (HCID 11435319)

기본 정보

CAS: 40216-83-9
표준 SMILES: COC(=O)[C@@H]1C[C@@H](O)CN1.Cl
InChIKey: KLGSHNXEUZOKHH-JBUOLDKXSA-N
분자식: C6H12ClNO3
평균 분자량: 181.62 g/mol
단동위원소 질량: 181.0505709

이름 및 식별자

우선 이름: 4-Hydroxy-L-proline methyl ester hydrochloride
IUPAC: methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
영어명: trans-4-Hydroxy-L-proline methyl ester hydrochloride
분자식: C6H12ClNO3
분자량: 181.62

이름 및 동의어

RefChem:5239474-hydroxy-l-proline methyl ester hydrochloride40216-83-9H-Hyp-OMe.HCltrans-4-Hydroxy-L-proline methyl ester hydrochlorideMethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate Hydrochloride(2S,4R)-methyl 4-hydroxypyrrolidine-2-carboxylate hydrochlorideL-4-Hydroxyproline methyl ester hydrochlorideMFCD00080855H-Hyp-OMe hydrochlorideH-Hyp-OMe (hydrochloride)methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride

이름 더 보기

H-HYP-OME·HCL(4R)-4-Hydroxy-L-proline methyl ester HCltrans-4-Hydroxyproline Methyl Ester Hydrochloride(2S,4R)-2-CARBOMETHOXY-4-HYDROXYPYRROLIDINE HYDROCHLORIDEHyp-Ome HCL

Methyl trans-4-hydroxy-L-prolinate hydrochloridehydroxyproline methyl ester hydrochlorideL-HYDROXYPROLINE METHYL ESTER HYDROCHLORIDE336192-08-6(2S,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate HClMethyl (2S,4R)-4-hydroxy-2-pyrrolidinecarboxylate HydrochlorideH-HYP-OME HCLRel-methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride

데이터베이스 식별자

CAS: 40216-83-9
PubChem CID: 11435319
DTXSID: DTXSID801379688
ChEMBL: CHEMBL552640

물성

구조 계산 물성

극성 표면적: 58.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 137

물리화학적 성질

녹는점: 169 °C · 169 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨, 초음파 처리)
물리적 상태: 고체
색상: 흰색에서 황백색까지
BRN: 4716932 · 4716932
안정성: 흡습성
주요 응용: 펩타이드 합성
InChI: InChI=1/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5+;/s3
InChIKey: KLGSHNXEUZOKHH-SRJSDOSHNA-N
SMILES: [C@@H]1(NC[C@H](O)C1)C(=O)OC.Cl |&1:0,3,r|