2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl-[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol

HCID 11285366
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC1O[C@@H](CO)[C@H](COc2c(C(C)(C)C)cc(SC(C)(C)Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2C(C)(C)C)O1
InChIKey
YSBIUPKSQVDYDX-BVKSZRQYSA-N
분자식
C38H60O6S2
평균 분자량
677 g/mol
단동위원소 질량
676.38313198

이름 및 식별자

우선 이름
2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl-[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol
IUPAC
2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[[(4S,5S)-2-ethoxy-5-(hydroxymethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]sulfanylpropan-2-ylsulfanyl]phenol

이름 및 동의어

SCHEMBL5574412YSBIUPKSQVDYDX-BVKSZRQYSA-N2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl-[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol2,6-di-tert-butyl-4-{1-[3,5-di-tert-butyl-4-(2-ethoxy-5(S)-hydroxymethyl[1,3]dioxolan-4(S)-yl-methoxy)-phenylsulfanyl]-1-methyl-ethylsulfanyl}-phenol

데이터베이스 식별자

PubChem CID
11285366

물성

구조 계산 물성

XLogP
11.1
극성 표면적
128 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
14
무거운 원자 수
46

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