Kinamycin B
기본 정보
- CAS
35303-13-0- 표준 SMILES
CC(=O)O[C@]1(C)[C@H](O)c2c(c3c(=O)c4cccc(O)c4c(=O)c=3c2=[N+]=[N-])[C@H](O)[C@H]1O- InChIKey
UZCOWBDCSCNWHJ-MTQWCTHYSA-N- 분자식
- C20H16N2O8
- 평균 분자량
- 412.3 g/mol
- 단동위원소 질량
- 412.09066547
개요
Kinamycin B is a kinamycin.
이름 및 식별자
- 우선 이름
- Kinamycin B
- IUPAC
- [(1R,2R,3R,4S)-11-diazo-1,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[b]fluoren-2-yl] acetate
- 영어명
- 5H-Benzo(b)carbazole-5-carbonitrile, 3-(acetyloxy)-1,2,3,4,6,11-hexahydro- 1,2,4,7-tetrahydroxy-3-methyl-6,11-dioxo-
- 분자식
- C20H16N2O8
- 분자량
- 412.34964
이름 및 동의어
Kinamycin BBRN 0503790CHEBI:48214(1R,2R,3R,4S)-11-diazo-1,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-2,3,4,5,10,11-hexahydro-1H-benzo[b]fluoren-2-yl acetate5-21-13-00703 (Beilstein Handbook Reference)((1R,2R,3R,4S)-11-diazo-1,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-3,4-dihydro-1H-benzo(b)fluoren-2-yl) acetate(1R,2R,3R,4S)-11-diazo-1,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-2,3,4,5,10,11-hexahydro-1H-benzo(b)fluoren-2-yl acetate[(1R,2R,3R,4S)-11-diazo-1,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[b]fluoren-2-yl] acetateRefChem:1512575H-Benzo(b)carbazole-5-carbonitrile, 3-(acetyloxy)-1,2,3,4,6,11-hexahydro-1,2,4,7-tetrahydroxy-3-methyl-6,11-dioxo-35303-13-0SCHEMBL29884029
이름 더 보기
5H-Benzo(b)carbazole-5-carbonitrile, 3-(acetyloxy)-1,2,3,4,6,11-hexahydro- 1,2,4,7-tetrahydroxy-3-methyl-6,11-dioxo-
DTXSID20956737HY-126602Q27121102(1R,2R,3R,4S)-2-(Acetyloxy)-11-diazonio-1,3,4,9-tetrahydroxy-2-methyl-10-oxo-2,3,4,10-tetrahydro-1H-benzo[b]fluoren-5-olate2-(Acetyloxy)-11-diazonio-1,3,4,9-tetrahydroxy-2-methyl-10-oxo-2,3,4,10-tetrahydro-1H-benzo[b]fluoren-5-olate
데이터베이스 식별자
- CAS
35303-13-0- PubChem CID
- 135474648
- DTXSID
DTXSID20956737- ChEBI
CHEBI:48214- Nikkaji
- J1.489.847F
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 991
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