ethyl (S)-2-ethoxy-3-[4-[[4-(methylsulfonyloxy)phenethyl]oxy]phenyl]propanoate

HCID 11293498

기본 정보

표준 SMILES
CCOC(=O)[C@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)OCC
InChIKey
JMZWKJZJXSKXJL-NRFANRHFSA-N
분자식
C22H28O7S
평균 분자량
436.5 g/mol
단동위원소 질량
436.1555744

이름 및 식별자

우선 이름
ethyl (S)-2-ethoxy-3-[4-[[4-(methylsulfonyloxy)phenethyl]oxy]phenyl]propanoate
IUPAC
ethyl (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoate

이름 및 동의어

SCHEMBL5999342JMZWKJZJXSKXJL-NRFANRHFSA-NDB-336335(S)-2-ethoxy-3-[4-(2-{4-methanesulfonyloxyphenyl}ethoxy)phenyl]-propanoic acid ethyl ester(s)-2-ethoxy-3-[4-(2-{4-methanesulfonyloxyphenyl}ethoxy)phenyl]propanoic acid ethyl esterethyl (S)-2-ethoxy-3-[4(2-{4-methanesulfonyloxyphenyl}ethoxy)phenyl]propanoateethyl (S)-2-ethoxy-3-[4-[[4-(methylsulfonyloxy)phenethyl]oxy]phenyl]propanoate(S)-2-ethoxy-3-[4-(2-{4-methanesulfonyloxyphenyl} ethoxy)phenyl]-propanoic acid ethyl ester(S)-2-ethoxy-3-[4-(2-{4-methanesulfonyloxyphenyl}ethoxy) phenyl]-propanoic acid ethyl ester251565-91-0

데이터베이스 식별자

PubChem CID
11293498

물성

구조 계산 물성

XLogP
4.2
극성 표면적
96.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
13
무거운 원자 수
30

관련 반응

5건

화합물 노트

불러오는 중…