(3R,4S,5S,6R)-2-(4-bromo-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)meth yl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
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기본 정보
- 표준 SMILES
COC1(c2ccc(Br)c(Cc3ccc4c(c3)OCCO4)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
SVLKBIWNNLFLBX-VEIQOZLZSA-N- 분자식
- C22H25BrO8
- 평균 분자량
- 497.3 g/mol
- 단동위원소 질량
- 496.07328
이름 및 식별자
- 우선 이름
- (3R,4S,5S,6R)-2-(4-bromo-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)meth yl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
- IUPAC
- (3R,4S,5S,6R)-2-[4-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
이름 및 동의어
(3R,4S,5S,6R)-2-(4-bromo-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)meth yl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol1291094-66-0SCHEMBL1670100SCHEMBL17973486SVLKBIWNNLFLBX-VEIQOZLZSA-N(3R,4S,5S,6R)-2-{4-bromo-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]phenyl}-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol(3R,4S,5 S,6R)-2-(4-bromo-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)meth yl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol(3R,4S,5S,6R)-2-[4-bromo-3-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-phenyl]-6-hydroxymethyl-2-methoxy-tetrahydro-pyran-3,4, 5-triol(3R,4S,5S,6R)-2-[4-bromo-3-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-phenyl]-6-hydroxymethyl-2-methoxy-tetrahydro-pyran-3,4,5-triol
데이터베이스 식별자
- PubChem CID
- 58340876
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 596
관련 반응
4건
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