(S)-(-)-2-HYDROXY-1,2,2-트리페닐에틸아세테이트

1,2-Ethanediol, 1,1,2-triphenyl-, 2-acetate, (2S)-

HCID 736048CAS 95061-51-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIKey: GXLZCXZLVDUDHP-NRFANRHFSA-N
분자식: C22H20O3
평균 분자량: 332.4 g/mol
단동위원소 질량: 332.1412445

이름 및 식별자

우선 이름: 1,2-Ethanediol, 1,1,2-triphenyl-, 2-acetate, (2S)-
IUPAC: [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate
현지명: (S)-(-)-2-HYDROXY-1,2,2-트리페닐에틸아세테이트
영어명: (S)-(-)-2-HYDROXY-1,2,2-TRIPHENYLETHYL ACETATE
분자식: C22H20O3
분자량: 332.39

이름 및 동의어

1,2-Ethanediol, 1,1,2-triphenyl-, 2-acetate, (2S)-RefChem:41201795061-51-1(S)-2-Hydroxy-1,2,2-triphenylethyl acetate(1s)-2-hydroxy-1,2,2-triphenylethyl acetate(S)-(-)-2-hydroxy-1,2,2-triphenylethyl acetateMFCD00066241[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetates-(-)-2-hydroxy-1,2,2-triphenylethyl acetate(S)-(-)-2-HYDROXY-122-TRIPHENYLETHYL ACETATE(S)-(-)-1,1,2-Triphenyl-1,2-ethanediol 2-acetate(S)-2-Acetoxy-1,1,2-triphenylethanol

이름 더 보기

(S)-(-)-2-HYDROXY-1,2,2-트리페닐에틸아세테이트(S)-(-)-HYTRAHYTRA(S)-2-Hydroxy-1,2,2-triphenyL(S)-(-)-2-HYDROXY-1,2,2-TRIPHENYLETHYL A(S)-(-)-1,1,2-TRIPHENYLETHYLENGLYKOL-2-ACETAT(S)-(-)-1,1,2-TRIPHENYL-1,2-ETHANDIOL-2-ACETAT

[(1S)-2-hydroxy-1,2,2-triphenyl-ethyl] acetateSCHEMBL3207658(S)-(-)-2-HYDROXY-1,2,3-TRIPHENYLETHYL ACETATEDTXSID60352916FD1259SBB067566(S)-(-)-2-HYDROXY-1AKOS015837911

데이터베이스 식별자

CAS: 95061-51-1
PubChem CID: 736048
DTXSID: DTXSID60352916
EC Number: 104-293-7
Nikkaji: J246.479I

물성

구조 계산 물성

XLogP: 4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 25
형식 전하: 0
복잡도: 397

물리화학적 성질

녹는점: 246 · 246-249 °C
끓는 점: 429.52 °C · 429.52°C (rough estimate)
밀도: 1.18 · 1.180
굴절률: 1.6 · 1.6000 (estimate)
저장 조건: 30 °C · Store below +30°C.
산도 계수 (pKa): 12.4 · 12.40±0.29(Predicted)
물리적 상태: crystals
InChI: 1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1
InChIKey: GXLZCXZLVDUDHP-NRFANRHFSA-N

화학적 성질

white to light yellow crystal powde

안전 및 규제

유해성 정보

Regulatory Information1,2-Ethanediol, 1,1,2-triphenyl-, 2-acetate, (2S)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: WGK 3 highly water endangering
HS 번호: 29181990
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도(S)-2-Hydroxy-1,2,2-triphenylethyl Acetate is a reactant in the synthesis of Lankacidin derivatives as a 17-membered macrocyclic antibiotic.

상·하류 제품 정보

상류 원료

공급사48 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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