RP 20132
기본 정보
- CAS
70722-93-9- 표준 SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@@H](N)CC(C)C)[C@H](O)[C@H](C)O1.Cl- InChIKey
FDNPPMPFCQOOQM-WSWBDDGPSA-N- 분자식
- C33H41ClN2O12
- 평균 분자량
- 693.1 g/mol
- 단동위원소 질량
- 692.2348024
이름 및 식별자
- 우선 이름
- RP 20132
- IUPAC
- (2S)-2-amino-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-4-methylpentanamide;hydrochloride
이름 및 동의어
RP 2013270722-93-9RefChem:9309145,12-Naphthacenedione, 10-((3-((2-amino-4-methyl-1-oxopentyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, monohydrochloride, (8S-(8-alpha,10-alpha))-DTXSID10990983(2S)-2-amino-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-4-methylpentanamide;hydrochloride(1S,3S)-3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-{[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino}-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside--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-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)
데이터베이스 식별자
- CAS
70722-93-9- PubChem CID
- 3054025
- DTXSID
DTXSID10990983
물성
구조 계산 물성
- 극성 표면적
- 235 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,200
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