(7S,9S)-7-[4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
기본 정보
- CAS
70844-18-7- 표준 SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NCc2ccccc2)C(O)C(C)O1.Cl- InChIKey
UEXVZJBBJFUYQV-UYMOMIBQSA-N- 분자식
- C34H36ClNO11
- 평균 분자량
- 670.1 g/mol
- 단동위원소 질량
- 669.1976887
이름 및 식별자
- 우선 이름
- (7S,9S)-7-[4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
- IUPAC
- (7S,9S)-7-[4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
이름 및 동의어
70844-18-7DTXSID70991113NSC269433NSC-269433(1S,3S)-3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(benzylamino)-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(benzylamino)-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)5, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-.alpha.-L-lyxo-hexopyranosyl)oxy]-, hydrochloride, (8S-cis)-5, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-.alpha.-L-lyxohexopyranosyl]oxy]-, hydrochloride, (8S-cis)-
데이터베이스 식별자
- CAS
70844-18-7- PubChem CID
- 24197666
- DTXSID
DTXSID70991113
물성
구조 계산 물성
- 극성 표면적
- 192 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,130
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