1-chloro-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranos-1-yl)-2-(4-trifluoromethylsulfonyloxy-benzyl)-benzene (HCID 86605978)

기본 정보

표준 SMILES: CC(=O)OC[C@H]1O[C@](O)(c2ccc(Cl)c(Cc3ccc(OS(=O)(=O)C(F)(F)F)cc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: KESLIAGZIFXYRG-IURCNINISA-N
분자식: C28H28ClF3O13S
평균 분자량: 697 g/mol

이름 및 식별자

우선 이름: 1-chloro-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranos-1-yl)-2-(4-trifluoromethylsulfonyloxy-benzyl)-benzene
IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-chloro-3-[[4-(trifluoromethylsulfonyloxy)phenyl]methyl]phenyl]-6-hydroxyoxan-2-yl]methyl acetate

이름 및 동의어

1-chloro-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranos-1-yl)-2-(4-trifluoromethylsulfonyloxy-benzyl)-benzeneSCHEMBL28694131-chloro-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranos-1-yl)-2-[4-(trifluoromethylsulfonyloxy)-benzyl]-benzene1-chloro4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranos-1-yl)-2-[4-(trifluoromethylsulfonyloxy)-benzyl]-benzene

데이터베이스 식별자

PubChem CID: 86605978

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 186 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 16
회전 가능 결합 수: 14
무거운 원자 수: 46
형식 전하: 0
복잡도: 1,220

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