Carbonic acid (1R,2S,3S,4R,5S)-5-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-2,3,4-trihydoxy-6,8-dioxa-bicyclo[3.2.1]oct-1-ylmethyl ester ethyl ester

HCID 52931702

기본 정보

표준 SMILES
CCOC(=O)OC[C@@]12CO[C@@](c3ccc(Cl)c(Cc4ccc(OCC)cc4)c3)(O1)[C@H](O)[C@@H](O)[C@@H]2O
InChIKey
UZNDVBKGNUECKB-MBIDVBTESA-N
분자식
C25H29ClO9
평균 분자량
508.9 g/mol

이름 및 식별자

우선 이름
Carbonic acid (1R,2S,3S,4R,5S)-5-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-2,3,4-trihydoxy-6,8-dioxa-bicyclo[3.2.1]oct-1-ylmethyl ester ethyl ester
IUPAC
[(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2,3,4-trihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methyl ethyl carbonate

이름 및 동의어

SCHEMBL1767711CHEMBL3953991UZNDVBKGNUECKB-MBIDVBTESA-NBDBM119378US8669380, 4Carbonic acid (1R,2S,3S,4R,5S)-5-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-2,3,4-trihydoxy-6,8-dioxa-bicyclo[3.2.1]oct-1-ylmethyl ester ethyl esterCarbonic acid (1R,2S,3S,4R,5S)-5-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-2,3,4-trihydroxy-6,8-dioxa-bicyclo[3.2.1]oct-1-ylmethyl ester ethyl ester

데이터베이스 식별자

PubChem CID
52931702
ChEMBL
CHEMBL3953991

물성

구조 계산 물성

XLogP
2.5
극성 표면적
124 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
10
무거운 원자 수
35

관련 반응

4건

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