3-Hydroxy-4-((1S)-1-hydroxy-1,5-dimethylhexyl)benzoic acid
기본 정보
- CAS
1137089-32-7- 표준 SMILES
CC(C)CCC[C@](C)(O)c1ccc(C(=O)O)cc1O- InChIKey
VZXPWVDKXCYHSI-HNNXBMFYSA-N- 분자식
- C15H22O4
- 평균 분자량
- 266.33 g/mol
- 단동위원소 질량
- 266.15180918
개요
(+)-(7S)-sydonic acid is a sesquiterpenoid that is benzoic acid substituted by a hydroxy group at position 3 and a (2S)-2-hydroxy-6-methylheptan-2-yl group at position 4. It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a monohydroxybenzoic acid, a sesquiterpenoid and an aromatic alcohol.
이름 및 식별자
- 우선 이름
- 3-Hydroxy-4-((1S)-1-hydroxy-1,5-dimethylhexyl)benzoic acid
- IUPAC
- 3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]benzoic acid
이름 및 동의어
S-Sydonic acidSydonic acid, (S)-(S)-(+)-Sydonic acidRVU8KTT1501137089-32-73-Hydroxy-4-((1S)-1-hydroxy-1,5-dimethylhexyl)benzoic acidBenzoic acid, 3-hydroxy-4-((1S)-1-hydroxy-1,5-dimethylhexyl)-DTXSID6011924923-Hydroxy-4-[(1S)-1-hydroxy-1,5-dimethylhexyl]benzoic acidRefChem:1067956DTXCID801623744UNII-RVU8KTT150
이름 더 보기
(+)-(7S)-sydonic acid3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]benzoic acid(+)-sydonic acidMLS003373246CHEMBL2361427CHEBI:68223SMR002048003Q27136716
데이터베이스 식별자
- CAS
1137089-32-7- PubChem CID
- 25775004
- DTXSID
DTXSID601192492- ChEMBL
CHEMBL2361427- ChEBI
CHEBI:68223- UNII
- RVU8KTT150
- Nikkaji
- J133.839K
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 303
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