基本情報
- CAS
64431-58-9- 標準SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC- InChIKey
AQTCLQLBOGABRV-UFJKXKKKSA-N- 分子式
- C41H51NO15
- 平均分子量
- 797.8 g/mol
- 単同位体質量
- 797.32586992
名称と識別子
- 優先名称
- Antibiotic MA 144L1
- IUPAC
- methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
名称と別名
N-Monodemethylaclacinomycin AAntibiotic MA 144L1N-Demethylaclacinomycin AMA 144L1UNII-R992SD6O2CR992SD6O2CMA-144L1DTXSID002146851-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(methylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-1-NAPHTHACENECARBOXYLIC ACID, 2-ETHYL-1,2,3,4,6,11-HEXAHYDRO-2,5,7-TRIHYDROXY-6,11-DIOXO-4-((2,3,6-TRIDEOXY-4-O-(2,6-DIDEOXY-4-O-((2R,6S)-TETRAHYDRO-6-METHYL-5-OXO-2H-PYRAN-2-YL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)-3-(METHYLAMINO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-, METHYL ESTER, (1R,2R,4S)-1-NAPHTHACENECARBOXYLIC ACID, 2-ETHYL-1,2,3,4,6,11-HEXAHYDRO-2,5,7-TRIHYDROXY-6,11-DIOXO-4-((2,3,6-TRIDEOXY-4-O-(2,6-DIDEOXY-4-O-((2R-TRANS)-TETRAHYDRO-6-METHYL-5-OXO-2H-PYRAN-2-YL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)-3-(METHYLAMINO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-, METHYL ESTER, (1R-(1.ALPHA.,2.BETA.,4.BETA.))-RefChem:199606
名称をさらに表示
DTXCID301371761-NAPHTHACENECARBOXYLIC ACID, 2-ETHYL-1,2,3,4,6,11-HEXAHYDRO-2,5,7-TRIHYDROXY-6,11-DIOXO-4-((2,3,6-TRIDEOXY-4-O-(2,6-DIDEOXY-4-O-((2R,6S)-TETRAHYDRO-6-METHYL-5-OXO-2H-PYRAN-2-YL)-ALPHA-L-LYXO-HEXOPYRANOSYL)-3-(METHYLAMINO)-ALPHA-L-LYXO-HEXOPYRANOSYL)OXY)-, METHYL ESTER, (1R,2R,4S)-1-NAPHTHACENECARBOXYLIC ACID, 2-ETHYL-1,2,3,4,6,11-HEXAHYDRO-2,5,7-TRIHYDROXY-6,11-DIOXO-4-((2,3,6-TRIDEOXY-4-O-(2,6-DIDEOXY-4-O-((2R-TRANS)-TETRAHYDRO-6-METHYL-5-OXO-2H-PYRAN-2-YL)-ALPHA-L-LYXO-HEXOPYRANOSYL)-3-(METHYLAMINO)-ALPHA-L-LYXO-HEXOPYRANOSYL)OXY)-, METHYL ESTER, (1R-(1ALPHA,2BETA,4BETA))-64431-58-9Q27288001Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxooxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(methylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 226 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 16
- 回転可能結合数
- 10
- 重原子数
- 57
- 形式電荷
- 0
- 複雑度
- 1,500
関連反応
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