기본 정보
- CAS
66262-68-8- 표준 SMILES
C/C(=C\C(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O- InChIKey
IUBMRJVNZLQSHU-FDJBSCRHSA-N- 분자식
- C17H28O7
- 평균 분자량
- 344.4 g/mol
- 단동위원소 질량
- 344.18350323
개요
Monic acid is an epoxy fatty acid.
이름 및 식별자
- 우선 이름
- Monic acid
- IUPAC
- (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoic acid
- 현지명
- 모닉산A
- 영어명
- monic acid A
- 분자식
- C17H28O7
- 분자량
- 344.4
이름 및 동의어
Monic AcidTYE9LL9U8VRefChem:1089807UNII-TYE9LL9U8V(E)-4-((2S,3R,4R,5S)-3,4-Dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoic acid2-Butenoic acid, 3-methyl-4-(tetrahydro-3,4-dihydroxy-5-((3-(2-hydroxy-1-methylpropyl)oxiranyl)methyl)-2H-pyran-2-yl)-, (2S-(2alpha(E),3beta,4beta,5alpha(2R*,3R*(1R*,2R*))))-SCHEMBL938093CHEBI:197047IUBMRJVNZLQSHU-FDJBSCRHSA-NFM26045(2E)-5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-L-talo-non-2-enonic Acid(2E)-5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-L-talo-non-2-enonic ac id
이름 더 보기
모닉산Amonic acid AMupirocin Impurity 10Mupirocin Monic Acid AMupirocin EP Impurity 11Mupirocin Calcium Impurity 11[2E,8[2S,3S(1S,2S)]]-5,9-anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-Methylpropyl)oxiranyl]Methyl]-3-MetL-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-, (2E)-
(e)-(2s,3r,4r,5s)-5-[(2s,3s,4s,5s)-2,3-epoxy-5-hydroxy-4-methylhexyl] tetrahydro-3,4-dihydroxy-beta-methyl-2h-pyran-2-crotonic acid[2E,8[2S,3S(1S,2S)]]-5,9-anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-3-methyl-L-tal
데이터베이스 식별자
- CAS
66262-68-8- PubChem CID
- 10246906
- ChEBI
CHEBI:197047- UNII
- TYE9LL9U8V
- Nikkaji
- J1.292.895E
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 478
물리화학적 성질
- 녹는점
- 132 · 132-136°C
- 끓는 점
- 566.3 · 566.3±45.0 °C(Predicted)
- 밀도
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- DMSO, 에탄올, 메탄올 에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 5.05 · 5.05±0.33(Predicted)
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
공급사15 곳
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