1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-4-chloro-3(5-(4-hydroxyimino-3-fluorophenyl)-2-thienylmethyl)benzene

HCID 86601076

기본 정보

표준 SMILES
CC(=O)OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(C4=CC(F)C(=NO)C=C4)s3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
ASOHLUXTNDYHPJ-PKWFPIAQSA-N
분자식
C31H31ClFNO10S
평균 분자량
664.1 g/mol
단동위원소 질량
663.1341232

이름 및 식별자

우선 이름
1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-4-chloro-3(5-(4-hydroxyimino-3-fluorophenyl)-2-thienylmethyl)benzene
IUPAC
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[[5-(3-fluoro-4-hydroxyiminocyclohexa-1,5-dien-1-yl)thiophen-2-yl]methyl]phenyl]oxan-2-yl]methyl acetate

이름 및 동의어

ASOHLUXTNDYHPJ-PKWFPIAQSA-N1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-4-chloro-3(5-(4-hydroxyimino-3-fluorophenyl)-2-thienylmethyl)benzene1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-4-chloro-3-(5-(4-hydroxyimino-3-fluorophenyl)-2-thienyl-methyl) benzene1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-4-chloro-3-(5-(4-hydroxyimino-3-fluorophenyl)-2-thienyl-methyl)benzene1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-4-chloro-3-(5-(4-hydroxyimino-3-fluorophenyl)-2-thienylmethyl)benzene

데이터베이스 식별자

PubChem CID
86601076

물성

구조 계산 물성

XLogP
4.5
극성 표면적
175 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
13
회전 가능 결합 수
13
무거운 원자 수
45

관련 반응

6건

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