L-Isoleucyldaunorubin HCl
기본 정보
- CAS
74853-77-3- 표준 SMILES
CCC(C)C(N)C(=O)NC1CC(OC2CC(O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O.Cl- InChIKey
GOCQMUGJQSYUHJ-UHFFFAOYSA-N- 분자식
- C33H41ClN2O11
- 평균 분자량
- 677.1 g/mol
- 단동위원소 질량
- 676.2398878
이름 및 식별자
- 우선 이름
- L-Isoleucyldaunorubin HCl
- IUPAC
- N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-3-methylpentanamide;hydrochloride
이름 및 동의어
L-Isoleucyldaunorubin HCl74853-77-3N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-amino-3-methylpentanamide;hydrochlorideL-Isoleucyldaunorubin monohydrochlorideDTXSID009963585,12-Naphthacenedione, 8-acetyl-10-((3-((2-amino-3-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-L-xylo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-(8alpha,10alpha(R*)))-8-Acetyl-10-((3-((2-amino-3-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-L-xylo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione monohydrochloride, (8S-(8alpha,10alpha(R*)))-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)
데이터베이스 식별자
- CAS
74853-77-3- PubChem CID
- 153715
- DTXSID
DTXSID00996358
물성
구조 계산 물성
- 극성 표면적
- 215 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,180
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