(2R,3S,4S,5R)-4-(benzyloxy)-5-(benzyloxymethyl)-5-(difluoromethyl)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-3-yl acetate (HCID 118294157)

기본 정보

표준 SMILES: CC(=O)O[C@@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@@](COCc2ccccc2)(C(F)F)[C@H]1OCc1ccccc1
InChIKey: KTBQBWLFYQMGFQ-OHTANWTRSA-N
분자식: C26H26F2N2O7
평균 분자량: 516.5 g/mol

이름 및 식별자

우선 이름: (2R,3S,4S,5R)-4-(benzyloxy)-5-(benzyloxymethyl)-5-(difluoromethyl)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-3-yl acetate
IUPAC: [(2R,3S,4S,5R)-5-(difluoromethyl)-2-(2,4-dioxopyrimidin-1-yl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate

이름 및 동의어

(2R,3S,4S,5R)-4-(benzyloxy)-5-(benzyloxymethyl)-5-(difluoromethyl)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-3-yl acetateSCHEMBL169914001-[2-O -Acetyl-4-C -(difluoromethyl)-3,5-bis-O -(phenylmethyl)-|A-D-arabinofuranosyl]-2,4(1H ,3H )-pyrimidinedione1803126-19-3

데이터베이스 식별자

PubChem CID: 118294157

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 103 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 9
회전 가능 결합 수: 11
무거운 원자 수: 37
형식 전하: 0
복잡도: 845

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