5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(1-oxopropyl)-, hydrochloride, (8S-cis)-
기본 정보
- CAS
68674-19-1- 표준 SMILES
CCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O.Cl- InChIKey
IRYNIMWZWIUFRG-UHFFFAOYSA-N- 분자식
- C28H32ClNO10
- 평균 분자량
- 578 g/mol
- 단동위원소 질량
- 577.1714739
이름 및 식별자
- 우선 이름
- 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(1-oxopropyl)-, hydrochloride, (8S-cis)-
- IUPAC
- 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-propanoyl-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
- 영어명
- NSC 279509
- 분자식
- C28H31NO10.ClH
- 분자량
- 578.01
이름 및 동의어
68674-19-1NSC 2795097-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-propanoyl-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(1-oxopropyl)-, hydrochloride, (8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(1-oxopropyl)-5,12-naphthacenedione hydrochloride, (8S-cis)-Reaxys ID: 410638610-[(3-Amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(1-oxopropyl)-5,12-naphthacenedione Hydrochlorid10-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(1-oxopropyl)-5,12-naphthacenedione Hydrochloride10-[(3-Amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(1-oxopropyl)-5,12-naphthacenedione Hydrochloride5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(1-oxopropyl)-, hydrochloride, (8S-cis)-
물성
구조 계산 물성
- 극성 표면적
- 186 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 976
화학 및 산업
응용 분야
용도A Daunorubicin analogue with novel 9-Acyl substituent. Antineoplastic
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…