(7S,9S)-9-acetyl-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrobromide
기본 정보
- CAS
79898-07-0- 표준 SMILES
Br.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N2CCOCC2)C(O)C(C)O1- InChIKey
VIXOLOLAVBOIIP-PGCJNEOQSA-N- 분자식
- C31H36BrNO11
- 평균 분자량
- 678.5 g/mol
- 단동위원소 질량
- 677.14717
이름 및 식별자
- 우선 이름
- (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrobromide
- IUPAC
- (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrobromide
이름 및 동의어
79898-07-0NSC-327451DTXSID901000830NSC327451(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(morpholin-4-yl)hexopyranoside--hydrogen bromide (1/1)3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-ylhexopyranoside--hydrogen bromide (1/1)5, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(4-morpholinyl)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, hydrobromide, (8S-cis)-
데이터베이스 식별자
- CAS
79898-07-0- PubChem CID
- 24199432
- DTXSID
DTXSID901000830
물성
구조 계산 물성
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,080
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