(2R,3S,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-(1,3-dihydroxypropan-2-yloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
기본 정보
- 표준 SMILES
OCC(CO)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O- InChIKey
DLKZWXIGNSGWCS-CZDCCXQMSA-N- 분자식
- C15H28O13
- 평균 분자량
- 416.37 g/mol
- 단동위원소 질량
- 416.15299096
개요
(2R,3S,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-(1,3-dihydroxypropan-2-yloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has been reported in Furcellaria lumbricalis with data available.
이름 및 식별자
- 우선 이름
- (2R,3S,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-(1,3-dihydroxypropan-2-yloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- (2R,3S,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-(1,3-dihydroxypropan-2-yloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
물성
구조 계산 물성
- XLogP
- -4.9
- 극성 표면적
- 219 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 463
관련 반응
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