1246812-16-7 (单POC甲基泰诺福韦,Mono-POC Methyl Tenofovir (mixture of diastereomers))

CAS号:
1246812-16-7
中文名称:
单POC甲基泰诺福韦
英文名称:
Mono-POC Methyl Tenofovir (mixture of diastereomers)
分子式:
C15H24N5O7P
分子量:
417.354124069214

单POC甲基泰诺福韦(1246812-16-7)名称与标识符

名称

中文别名:
10-羟基喜树碱, 来源于红豆杉;TDF杂质G;单POC甲基富马酸替诺福韦(非对映体混合物);单POC甲基替诺福韦(非对映体的混合物);富马酸替诺福韦酯;富马酸替诺福韦酯杂质2;去羟基甲基氯沙坦三氟乙酸盐;单POC甲基泰诺福韦;
英文别名:
Mono-POC Methyl Tenofovir (mixture of diastereomers);[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-methoxyphosphoryl]oxymethyl propan-2-yl carbonate;Mono-POC Methyl Teno;Mono-POC Methyl Tenofovir;Mono-POC Methyl Tenofovir (Mixture of Diastereomers);(8R)-9-(6-Amino-9H-purin-9-yl)-5-methoxy-8-methyl-2,4,7-trioxa-5-phosphanonanoic Acid Methyl 1-Methylethyl Ester 5-Oxide;Tenofovir Methyl Monoisoproxil;(1-Methylethyl) (5RS,8R)-9-(6-amino-9H-purin-9-yl)-5-methoxy-8-methyl-5-oxo-2,4,7-trioxa-5-lambda5-phosphanonanoate;(1-Methylethyl) (5RS,8R)-9-(6-amino-9H-purin-9-yl)-5-methoxy-8-methyl-5-oxo-2,4,7-trioxa-5-lambda5-phosphanonanoate [WHO-IP];CS-0164372;((((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(methoxy)phosphoryl)oxy)methyl isopropyl carbonate? (Tenofovir Impurity pound(c);((((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(((isopropoxycarbonyl)oxy)methoxy)phosphoryl)oxy)methyl? (Tenofovir Impurity pound(c);UNII-F4AA6QB4R5;DTXSID80858142;(1-METHYLETHYL) (5RS,8R)-9-(6-AMINO-9H-PURIN-9-YL)-5-METHOXY-8-METHYL-5-OXO-2,4,7-TRIOXA-5-.LAMBDA.5-PHOSPHANONANOATE [WHO-IP];Tenofovir disoproxil fumarate impurity B;A890384;CS-0164401;Methyl ({[(propan-2-yl)oxy]carbonyl}oxy)methyl ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate;(8R)-9-(6-Amino-9H-purin-9-yl)-5-methoxy-8-methyl-2,4,7-trioxa-5-phosphanonanoic Acid Methyl 1-Methylethyl Ester 5-Oxide; Tenofovir Methyl Monoisoproxil;;1246812-16-7;(1-METHYLETHYL) (5RS,8R)-9-(6-AMINO-9H-PURIN-9-YL)-5-METHOXY-8-METHYL-5-OXO-2,4,7-TRIOXA-5-.LAMBDA.5-PHOSPHANONANOATE;F19477;2,4,7-Trioxa-5-phosphanonanoic acid, 9-(6-amino-9H-purin-9-yl)-5-methoxy-8-methyl-, 1-methylethyl ester, 5-oxide, (8R)-;((((((R)-1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(methoxy)phosphoryl)oxy)methyl isopropyl carbonate;F4AA6QB4R5;

标识符

InChIKey:
PPZMGSJRJBOSTD-XQSUJFPPSA-N
Inchi:
1S/C15H24N5O7P/c1-10(2)27-15(21)24-8-26-28(22,23-4)9-25-11(3)5-20-7-19-12-13(16)17-6-18-14(12)20/h6-7,10-11H,5,8-9H2,1-4H3,(H2,16,17,18)/t11-,28?/m1/s1
SMILES:
P(CO[C@H](C)CN1C=NC2=C(N)N=CN=C12)(=O)(OC)OCOC(=O)OC(C)C

单POC甲基泰诺福韦(1246812-16-7)物化性质

实验特性

  • LogP : 2.72750
  • PSA : 159.72000
  • 沸点 : 580.7±60.0 °C at 760 mmHg
  • 蒸气压 : 0.0±1.6 mmHg at 25°C
  • 闪点 : 305.0±32.9 °C
  • 密度 : 1.5±0.1 g/cm3

计算特性

  • 精确分子量 : 417.14100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 12
  • 同位素质量 : 417.14133512g/mol
  • 重原子数量 : 28
  • 复杂度 : 555
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.5
  • 拓扑分子极性表面积 : 150Ų

单POC甲基泰诺福韦(1246812-16-7)参考资料

Reaxys RN:
PubChem CID: