基本情報
- CAS
69230-47-3- 標準SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1- InChIKey
VUEZAPSQNPGLMR-LSXHNGFESA-N- 分子式
- C41H41NO10
- 平均分子量
- 707.8 g/mol
- 単同位体質量
- 707.2730465
名称と識別子
- 優先名称
- (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
- IUPAC
- (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
名称と別名
69230-47-3N,N-Dibenzyldaunorubicin-(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dioneCHEMBL3301904SCHEMBL27337885DTXSID609889515,12-Naphthacenedione, 8-acetyl-10-((3-(bis(phenylmethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)-.alpha.-L-lyxo-hexopyranoside-(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)-alpha-L-lyxo-hexopyranoside(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(dibenzylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)hexopyranoside
データベース識別子
- CAS
69230-47-3
物性
構造計算による物性
- XLogP
- 5.8
- 極性表面積
- 163 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 11
- 回転可能結合数
- 9
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,260
関連反応
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