기본 정보
- CAS
139636-03-6- 표준 SMILES
CO[C@@H]1C(CO)=C[C@@H](n2c(Cl)cc3c(=O)c4c(O)c(Cl)cc(C)c4oc32)[C@H](O)[C@H]1O- InChIKey
JPPZZIRKTBZEAJ-JLBIYAHBSA-N- 분자식
- C20H19Cl2NO7
- 평균 분자량
- 456.3 g/mol
- 단동위원소 질량
- 455.0538573
개요
Pyralomicin 1a is a member of chromones.
이름 및 식별자
- 우선 이름
- Pyralomicin 1a
- IUPAC
- 2,6-dichloro-1-[(1R,4R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxycyclohex-2-en-1-yl]-5-hydroxy-8-methylchromeno[2,3-b]pyrrol-4-one
- 영어명
- [1]Benzopyrano[2,3-b]pyrrol-4(1H)-one, 2,6-dichloro-1-[(1R,4R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxy-2-cyclohexen-1-yl]-5-hydroxy-8-methyl-
- 분자식
- C20H19Cl2NO7
- 분자량
- 456.27
이름 및 동의어
Pyralomicin 1a139636-03-62,6-dichloro-1-[(1R,4R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxycyclohex-2-en-1-yl]-5-hydroxy-8-methylchromeno[2,3-b]pyrrol-4-oneDTXSID301611382,6-dichloro-1-((1R,4R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxycyclohex-2-en-1-yl)-5-hydroxy-8-methylchromeno(2,3-b)pyrrol-4-oneRefChem:177401DTXCID5083629Antibiotic MI 178-34F18A2(1)Benzopyrano(2,3-b)pyrrol-4(1H)-one, 2,6-dichloro-1-(5,6-dihydroxy-3-(hydroxymethyl)-4-methoxy-2-cyclohexen-1-yl)-5-hydroxy-8-methyl-orb3024416SCHEMBL29885919CHEBI:206244
이름 더 보기
[1]Benzopyrano[2,3-b]pyrrol-4(1H)-one, 2,6-dichloro-1-[(1R,4R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxy-2-cyclohexen-1-yl]-5-hydroxy-8-methyl-
TN105052,6-Dichloro-1-[(1R,4R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxycyclohex-2-en-1-yl]-5-hydroxy-8-methyl[1]benzopyrano[2,3-b]pyrrol-4(1H)-one
데이터베이스 식별자
- CAS
139636-03-6- PubChem CID
- 3072006
- DTXSID
DTXSID30161138- ChEBI
CHEBI:206244
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 709
물리화학적 성질
- 끓는 점
- 604.9 · 604.9±55.0 °C(Predicted)
- 밀도
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.89 · 5.89±0.20(Predicted)
화학 및 산업
공급사2 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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