9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride
기본 정보
- CAS
26164-47-6- 표준 SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)O)CC3OC1CC(N)C(O)C(C)O1.Cl- InChIKey
LQLMJJJLWJUAMM-UHFFFAOYSA-N- 분자식
- C27H32ClNO10
- 평균 분자량
- 566 g/mol
- 단동위원소 질량
- 565.1714739
이름 및 식별자
- 우선 이름
- 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride
- IUPAC
- 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
이름 및 동의어
9-Hydroxymethyl-9-deacetyldaunorubicin hydrochlorideRefChem:107500173068-98-1Antibiotic RP 20798Dihydrodaunomycin HClDihydrodaunomycin hydrochloride7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride13-Dihydrodaunomycin hydrochlorideRP 20798Daunorubicinol HClL-lyxo-Hexopyranoside, 1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-, hydrochloride, (1S,3S)-alpha-DTXSID10949037
이름 더 보기
LQLMJJJLWJUAMM-UHFFFAOYSA-NNSC 27268110-((4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochlorideID16537426164-47-63,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxymethyl)-1-methoxy-, hydrochloride, (8S-cis)-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
데이터베이스 식별자
- CAS
26164-47-6、28008-53-9、73068-98-1- PubChem CID
- 153510
- DTXSID
DTXSID10949037
물성
구조 계산 물성
- 극성 표면적
- 189 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 918
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