4-{[4-(4-fluoro-phenyl)phenyl]methyl}-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole (HCID 69133844)

기본 정보

표준 SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2n[nH]c(C)c2Cc2ccc(-c3ccc(F)cc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: JUDOEDSRYCWUJW-KBMGTAGUSA-N
분자식: C31H33FN2O10
평균 분자량: 612.6 g/mol

이름 및 식별자

우선 이름: 4-{[4-(4-fluoro-phenyl)phenyl]methyl}-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole
IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[4-[[4-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazol-3-yl]oxy]oxan-2-yl]methyl acetate

이름 및 동의어

SCHEMBL4661954JUDOEDSRYCWUJW-KBMGTAGUSA-N4-{[4-(4-fluoro-phenyl)phenyl]methyl}-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole4-{[4-(4-fluorophenyl)phenyl]methyl}-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole

데이터베이스 식별자

PubChem CID: 69133844

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 152 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 12
회전 가능 결합 수: 14
무거운 원자 수: 44
형식 전하: 0
복잡도: 1,000

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