9-脱氧阿霉素
[CAS# 84519-42-6]

基本信息

• 产品名称: 9-脱氧阿霉素
• 英文名: 9-Deoxydoxorubicin
• 别名: (8R,10S)-10-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,11-Dihydroxy-8-(2-Hydroxyacetyl)-1-Methoxy-7,8,9,10-Tetrahydrotetracene-5,12-Dione; (8R,10S)-10-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,11-Dihydroxy-8-(2-Hydroxy-1-Oxoethyl)-1-Methoxy-7,8,9,10-Tetrahydrotetracene-5,12-Dione; (8R,10S)-10-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-8-Glycoloyl-6,11-Dihydroxy-1-Methoxy-7,8,9,10-Tetrahydrotetracene-5,12-Quinone
• 分子式: C₂₇H₂₉NO₁₀
• 分子量: 527.53
• CAS 登录号: 84519-42-6
• 分子行输入简码 SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)C2=C(O)C4=C(C(=C2C[C@H](C3)C(=O)CO)O)C(=O)C5=C(C4=O)C(=CC=C5)OC
• 国际化学标识码 InChI: 1S/C27H29NO10/c1-10-23(31)14(28)8-18(37-10)38-17-7-11(15(30)9-29)6-13-20(17)27(35)22-21(25(13)33)24(32)12-4-3-5-16(36-2)19(12)26(22)34/h3-5,10-11,14,17-18,23,29,31,33,35H,6-9,28H2,1-2H3/t10-,11+,14-,17-,18-,23+/m0/s1
• 国际化学标识检索码 InChIKey: KXAYNEKSZHDBGO-LOGLVVABSA-N

物理化学性质

• 密度: 1.553g/cm³ （计算值）
• 沸点: 775.37°C at 760 mmHg （计算值）
• 闪点: 422.728°C （计算值）