11-Hydroxynovobiocin
기본 정보
- 표준 SMILES
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(C/C=C(\C)CO)c4)c(=O)oc3c2C)OC1(C)C- InChIKey
LCJSKYNFIIXMOR-FXZNJYQSSA-N- 분자식
- C31H36N2O12
- 평균 분자량
- 628.6 g/mol
- 단동위원소 질량
- 628.22682459
개요
11-hydroxynovobiocin is a member of coumarins and a glycoside.
이름 및 식별자
- 우선 이름
- 11-Hydroxynovobiocin
- IUPAC
- [(3R,4S,5R,6S)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
이름 및 동의어
11-hydroxynovobiocin[(3R,4S,5R,6S)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate(((3R,4S,5R,6S)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-((2E)-4-hydroxy-3-methylbut-2-en-1-yl)benzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyloxan-4-yl)oxy)methanimidate((3R,4S,5R,6S)-5-hydroxy-6-(4-hydroxy-3-((4-hydroxy-3-((E)-4-hydroxy-3-methylbut-2-enyl)benzoyl)amino)-8-methyl-2-oxochromen-7-yl)oxy-3-methoxy-2,2-dimethyloxan-4-yl) carbamate{[(3R,4S,5R,6S)-5-hydroxy-6-[(4-hydroxy-3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]benzamido}-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidateRefChem:77909CHEBI:222840
데이터베이스 식별자
- ChEBI
CHEBI:222840
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 216 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,170
관련 반응
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