[(4Z)-4-[[2-[2-[[9-[(3R,4S,5R)-3,4-二羟基-5-(羟基甲基)四氢呋喃-2-基]嘌呤-6-基]氨基]乙硫基]乙基氨基]亚甲基]-6-甲基-5-氧代吡啶-3-基]磷酸二氢甲酯
[CAS# 120151-99-7]

基本信息

• 产品名称: [(4Z)-4-[[2-[2-[[9-[(3R,4S,5R)-3,4-二羟基-5-(羟基甲基)四氢呋喃-2-基]嘌呤-6-基]氨基]乙硫基]乙基氨基]亚甲基]-6-甲基-5-氧代吡啶-3-基]磷酸二氢甲酯
• 英文名: [(4Z)-4-[[2-[2-[[9-[(3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Purin-6-Yl]Amino]Ethylsulfanyl]Ethylamino]Methylidene]-6-Methyl-5-Oxopyridin-3-Yl]Methyl Dihydrogen Phosphate
• 别名: [(4Z)-4-[[2-[2-[[9-[(3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Ethylsulfanyl]Ethylamino]Methylene]-6-Methyl-5-Oxo-3-Pyridyl]Methyl Dihydrogen Phosphate; [(4Z)-4-[[2-[2-[[9-[(3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-6-Purinyl]Amino]Ethylthio]Ethylamino]Methylene]-6-Methyl-5-Oxo-3-Pyridyl]Methyl Dihydrogen Phosphate; [(4Z)-4-[[2-[2-[[9-[(3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Purin-6-Yl]Amino]Ethylthio]Ethylamino]Methylene]-5-Keto-6-Methyl-3-Pyridyl]Methyl Dihydrogen Phosphate
• 分子式: C₂₂H₃₀N₇O₉PS
• 分子量: 599.55
• CAS 登录号: 120151-99-7
• 分子行输入简码 SMILES: [C@@H]1(O)[C@H](O)[C@H](OC1[N]3C2=NC=NC(=C2N=C3)NCCSCCN/C=C4/C(=CN=C(C4=O)C)CO[P](O)(O)=O)CO
• 国际化学标识码 InChI: 1S/C22H30N7O9PS/c1-12-17(31)14(13(6-25-12)9-37-39(34,35)36)7-23-2-4-40-5-3-24-20-16-21(27-10-26-20)29(11-28-16)22-19(33)18(32)15(8-30)38-22/h6-7,10-11,15,18-19,22-23,30,32-33H,2-5,8-9H2,1H3,(H,24,26,27)(H2,34,35,36)/b14-7-/t15-,18-,19-,22?/m1/s1
• 国际化学标识检索码 InChIKey: VSLXACWCGOFRBU-FPQWFLTBSA-N

物理化学性质

• 密度: 1.768g/cm³ （计算值）
• 沸点: 954.169°C at 760 mmHg （计算值）
• 闪点: 530.862°C （计算值）