2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

HCID 688411

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 64187-48-0
표준 SMILES: COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1
InChIKey: VVKAGQHUUDRPOI-NEPJUHHUSA-N
분자식: C14H17NO5
평균 분자량: 279.29 g/mol

이름 및 식별자

우선 이름: 2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
IUPAC: 1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
영어명: Z-Hyp-OMe
분자식: C14H17NO5
분자량: 279.29

이름 및 동의어

64187-48-0RefChem:10636092-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylateZ-HYP-OMe1-Benzyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylateCbz-Hyp-OMeMFCD00055851(2S,4R)-1-BENZYL 2-METHYL 4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATEN-Cbz-L-4-Hydroxyproline methyl esterO1-benzyl O2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate(2S,4R)-N-Cbz-4-hydroxy-L-proline methyl ester1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

이름 더 보기

Cbz-L-Hyp-OMeCbz-Hyp-Ome-OHZ-Hyp-OMe (Syrup)Z-HYP-OME USP/EP/BP

BP-12081N-benzyloxycarbonyl hydroxyproline methyl esterM06127N-(Benzyloxycarbonyl)-4-hydroxyproline Methyl EsterN-Carbobenzoxy-4-trans-hydroxy-L-proline Methyl EsterN-carbobenzyloxy-trans-4-hydroxy-L-proline methyl ester1 -Benzyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylateZ-L-HYP-OME

데이터베이스 식별자

CAS: 64187-48-0
PubChem CID: 688411
EC Number: 613-498-5
Nikkaji: J1.146.538B

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 76.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 353

물리화학적 성질

끓는 점: 422.8 · 422.8±45.0 °C(Predicted)
밀도: 1.313 · 1.313
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
산도 계수 (pKa): 14.25 · 14.25±0.40(Predicted)
물리적 상태: 점성 액체
색상: 옅은 노랑
InChI: InChI=1S/C14H17NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3/t11-,12+/m1/s1
InChIKey: VVKAGQHUUDRPOI-NEPJUHHUSA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)C[C@H](O)C[C@H]1C(OC)=O