기본 정보
- CAS
80312-32-9- 표준 SMILES
OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
GNVIYGFSOIHFHK-NIKVEEOSSA-N- 분자식
- C12H23NO9
- 평균 분자량
- 325.31 g/mol
- 단동위원소 질량
- 325.13728131
개요
4-O-alpha-D-glucopyranosylmoranoline is a monosaccharide derivative that is (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol having an alpha-D-glucosyl residue attached at position 4. It has a role as a metabolite. It is an alpha-D-glucoside and a monosaccharide derivative. It is functionally related to an alpha-D-glucose and a duvoglustat.
이름 및 식별자
- 우선 이름
- (2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)-3-piperidinyl alpha-D-glucopyranoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
이름 및 동의어
80312-32-9DTXSID701135748(2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)-3-piperidinyl alpha-D-glucopyranosideRefChem:934712DTXCID4015673704-O-a-D-GlucopyranosylmoranolineGlucopyranosylmoranoline(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolalpha-D-glucopyranosyl-(1->4)-1-deoxynojirimycin(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl alpha-D-glucopyranosideCHEBI:707364-O-?-D-Glucopyranosylmoranoline
이름 더 보기
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolQ27139052(2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)-3-piperidinyl I+/--D-glucopyranoside(2S,3R,4S,5S,6R)-2-(((2R,3R,4R,5S)-4,5-Dihydroxy-2-(hydroxymethyl)piperidin-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
데이터베이스 식별자
- CAS
80312-32-9- PubChem CID
- 11324809
- DTXSID
DTXSID701135748- ChEBI
CHEBI:70736- Nikkaji
- J410.712H
물성
구조 계산 물성
- XLogP
- -4.5
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 359
실험 및 물리화학적 성질
Physical DescriptionSolid
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