(1S,2S,3S,4R,5S)-5-[4-chloro-3-(4-hydroxy-benzyl)-phenyl]-1-hydroxymethyl-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol

HCID 67153906

기본 정보

표준 SMILES
OC[C@@]12CO[C@@](c3ccc(Cl)c(Cc4ccc(O)cc4)c3)(O1)[C@H](O)[C@@H](O)[C@@H]2O
InChIKey
UHORDSFKUFJGMW-KNJMJIDISA-N
분자식
C20H21ClO7
평균 분자량
408.8 g/mol

이름 및 식별자

우선 이름
(1S,2S,3S,4R,5S)-5-[4-chloro-3-(4-hydroxy-benzyl)-phenyl]-1-hydroxymethyl-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol
IUPAC
(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

이름 및 동의어

1298086-17-5SCHEMBL1767655CHEMBL3527603UHORDSFKUFJGMW-KNJMJIDISA-NBDBM119375US8669380, 1(1 S,2S,3S,4R,5S)-5-[4-chloro-3-(4-hydroxy-benzyl)-phenyl]-1-hydroxymethyl-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol(1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-hydroxybenzyl)phenyl)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol(1S,2S,3S,4R,5S)-5-[4-chloro-3-(4-hydroxy-benzyl)-phenyl]-1-hydroxymethyl-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol

데이터베이스 식별자

PubChem CID
67153906
ChEMBL
CHEMBL3527603

물성

구조 계산 물성

XLogP
1
극성 표면적
120 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
7
회전 가능 결합 수
4
무거운 원자 수
28

관련 반응

12건

화합물 노트

불러오는 중…

(1S,2S,3S,4R,5S)-5-[4-chloro-3-(4-hydroxy-benzyl)-phenyl]-1-hydroxymethyl-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol (HCID 67153906)|Huagongshe