5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride
기본 정보
- CAS
79898-08-1- 표준 SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)O)CC3O[C@H]1C[C@H](N2CCC(OC)CC2)[C@H](O)[C@H](C)O1.Cl- InChIKey
URYQFBKZFJQZJO-GCPFDLRKSA-N- 분자식
- C33H42ClNO11
- 평균 분자량
- 664.1 g/mol
- 단동위원소 질량
- 663.2446388
이름 및 식별자
- 우선 이름
- 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride
- IUPAC
- (9S)-6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-(4-methoxypiperidin-1-yl)-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
이름 및 동의어
79898-08-15,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochlorideDTXSID6010008317,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride(3S)-3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(4-methoxypiperidin-1-yl)-alpha-L-lyxo-hexopyranoside--hydrogen chloride (1/1)3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(4-methoxypiperidin-1-yl)hexopyranoside--hydrogen chloride (1/1)
데이터베이스 식별자
- CAS
79898-08-1- PubChem CID
- 157400
- DTXSID
DTXSID601000831
물성
구조 계산 물성
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,080
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