(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol

HCID 86685147

기본 정보

표준 SMILES
CO[C@@]1(c2ccc(Cl)c(Cc3ccc(OCC(F)(F)F)cc3)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
GRXMAXCVDDGQLV-JPVHLGFFSA-N
분자식
C22H24ClF3O7
평균 분자량
492.9 g/mol
단동위원소 질량
492.1162653

이름 및 식별자

우선 이름
(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol
IUPAC
(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

이름 및 동의어

(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triolSCHEMBL14954804(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-(2,2,2-trifluoroethoxyl)phenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol

데이터베이스 식별자

PubChem CID
86685147

물성

구조 계산 물성

XLogP
2.9
극성 표면적
109 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
10
회전 가능 결합 수
7
무거운 원자 수
33

관련 반응

4건

화합물 노트

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(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol (HCID 86685147)|Huagongshe