(2S,3R,4R,5S,6R)-2-(3-(4-(4-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butyl)benzyl)-4-methylphenyl)-6-(methylthio)tetrahydro-2H-pyran-3,4,5-triol

HCID 90183233
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CS[C@H]1O[C@@H](c2ccc(C)c(Cc3ccc(CCCCNC(CO)(CO)CO)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
BZCSQEBABXZVHU-IONQDRQYSA-N
분자식
C28H41NO7S
평균 분자량
535.7 g/mol
단동위원소 질량
535.26037382

이름 및 식별자

우선 이름
(2S,3R,4R,5S,6R)-2-(3-(4-(4-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butyl)benzyl)-4-methylphenyl)-6-(methylthio)tetrahydro-2H-pyran-3,4,5-triol
IUPAC
(2S,3R,4R,5S,6R)-2-[3-[[4-[4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]butyl]phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol

이름 및 동의어

CHEMBL5871103SCHEMBL15748879BZCSQEBABXZVHU-IONQDRQYSA-NBDBM176541(2S,3R,4R,5S,6R)-2-(3-(4-(4-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butyl)benzyl)-4-methylphenyl)-6-(methylthio)tetrahydro-2H-pyran-3,4,5-triolUS9688710, 101 (3R,4R,5S,6R)-2-(3-(4-(4-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butyl)benzyl)-4-methylphenyl)-6-(methylthio)tetrahydro-2H-pyran-3,4,5-triol

데이터베이스 식별자

PubChem CID
90183233
ChEMBL
CHEMBL5871103

물성

구조 계산 물성

XLogP
1
극성 표면적
168 Ų
수소 결합 공여자 수
7
수소 결합 수용자 수
9
회전 가능 결합 수
13
무거운 원자 수
37

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…