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
- 형식 전하
- 0
- 복잡도
- 1,210
관련 반응
6건
화합물 노트
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