[(1S,2R,3S,4S,5R,6S)-2,4-二(二氨基亚甲基氨基)-5-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-二羟基-6-(羟基甲基)-3-甲基氨基四氢吡喃-2-基]氧基-4-羟基-4-(羟基甲基)-5-甲基四氢呋喃-2-基]氧基-3,6-二羟基环己基]磷酸二氢酯
[CAS# 33014-54-9]

基本信息

• 产品名称: [(1S,2R,3S,4S,5R,6S)-2,4-二(二氨基亚甲基氨基)-5-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-二羟基-6-(羟基甲基)-3-甲基氨基四氢吡喃-2-基]氧基-4-羟基-4-(羟基甲基)-5-甲基四氢呋喃-2-基]氧基-3,6-二羟基环己基]磷酸二氢酯
• 英文名: [(1S,2R,3S,4S,5R,6S)-2,4-Bis(Diaminomethylideneamino)-5-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylaminooxan-2-Yl]Oxy-4-Hydroxy-4-(Hydroxymethyl)-5-Methyloxolan-2-Yl]Oxy-3,6-Dihydroxycyclohexyl] Dihydrogen Phosphate
• 别名: [(1S,2R,3S,4S,5R,6S)-5-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-4-(Hydroxymethyl)-5-Methyl-Tetrahydrofuran-2-Yl]Oxy-2,4-Diguanidino-3,6-Dihydroxy-Cyclohexyl] Dihydrogen Phosphate; [(1S,2R,3S,4S,5R,6S)-5-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-4-(Hydroxymethyl)-5-Methyl-2-Tetrahydrofuranyl]Oxy]-2,4-Diguanidino-3,6-Dihydroxycyclohexyl] Dihydrogen Phosphate; [(1S,2R,3S,4S,5R,6S)-5-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-3-Methylamino-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-5-Methyl-4-Methylol-Tetrahydrofuran-2-Yl]Oxy-2,4-Diguanidino-3,6-Dihydroxy-Cyclohexyl] Dihydrogen Phosphate
• 分子式: C₂₁H₄₂N₇O₁₅P
• 分子量: 663.57
• CAS 登录号: 33014-54-9
• 分子行输入简码 SMILES: [C@@H]2(O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1NC)CO)[C@](O)([C@@H](O[C@H]2O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O[P](O)(O)=O)[C@H]3O)C)CO
• 国际化学标识码 InChI: 1S/C21H42N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)12(33)10(31)6(3-29)40-17)18(39-5)41-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)43-44(36,37)38/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,21+/m0/s1
• 国际化学标识检索码 InChIKey: DCRWHJGCOKPJBN-TWBNDLJKSA-N

物理化学性质

• 密度: 2.108g/cm³ （计算值）
• 沸点: 1061.613°C at 760 mmHg （计算值）
• 闪点: 595.842°C （计算值）