18354-06-8 (地夸磷索杂质,1-b-D-Arabinofuranosyluracil 5'-Monophosphate)

地夸磷索杂质(18354-06-8)名称与标识符

名称

中文别名:
1-(5-O-膦酰呋喃戊糖基)-2,4(1H,3H)-嘧啶二酮;1-β-D-阿糖尿苷-5'-单磷酸酯;2,4-二氨基-6-(羟基甲基)蝶啶氢溴酸盐;地夸磷索杂质;
英文别名:
2,4(1H,3H)-Pyrimidinedione,1-(5-O-phosphono-b-D-arabinofuranosyl)-;1-β-D-Arabinofuranosyluracil 5?-Monophosphate;1-β-D-Arabinofuranosyluracil 5\'-Monophosphate;1-β-D-Arabinofuranosyluracil 5'-Monophosphate;Latuda;Lurasidone HCl;L-uridine-5'-monophosphate;Uridin-5'-phosphat;uridine-5'-monophosphate;Uracil Arabinonucleoside 5'-Phosphate;1--D-Arabinofuranosyluracil 5'-Monophosphate;1-2-D-Arabinofuranosyluracil 5-Monophosphate;1-b-D-Arabinofuranosyluracil 5'-monophosphate;1-(5-O-Phosphono--D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione;URACIL ARABINOSE-5'-PHOSPHATE;J-011754;1- beta -D-Arabinofuranosyluracil 5'-Monophosphate;1-beta-D-Arabinofuranosyluracil 5'-Monophosphate;Uracil arabinotide;SCHEMBL2056713;URACIL, 1-.BETA.-D-ARABINOFURANOSYL-, 5'-(DIHYDROGEN PHOSPHATE);18354-06-8;1-(5-O-Phosphono-beta-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione;IYD0EF6ZRI;Q27466836;((2R,3S,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate;CHEBI:190946;2,4(1H,3H)-PYRIMIDINEDIONE, 1-(5-O-PHOSPHONO-.BETA.-D-ARABINOFURANOSYL)-;[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;Uracil, 1-beta-D-arabinofuranosyl-, 5'-(dihydrogen phosphate);1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione;1-.BETA.-D-ARABINOFURANOSYLURACIL 5'-MONOPHOSPHATE;1-?-D-Arabinofuranosyluracil 5'-Monophosphate;UNII-IYD0EF6ZRI;1-(5-O-Phosphono-?-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione; Uracil Arabinonucleoside 5'-Phosphate;;2,4(1H,3H)-Pyrimidinedione, 1-(5-O-phosphono-beta-D-arabinofuranosyl)-;

标识符

InChIKey:
DJJCXFVJDGTHFX-CCXZUQQUSA-N
Inchi:
1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
SMILES:
P(=O)(O)(O)OC[C@@H]1[C@H]([C@@H]([C@H](N2C=CC(NC2=O)=O)O1)O)O

地夸磷索杂质(18354-06-8)物化性质

实验特性

  • LogP : -2.73490
  • PSA : 181.12000
  • 折射率 : 1.643
  • 密度 : 1.865

计算特性

  • 精确分子量 : 327.03300
  • 氢键供体数量 : 5
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 4
  • 同位素质量 : 324.03586699g/mol
  • 重原子数量 : 21
  • 复杂度 : 517
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 不确定原子立构中心数量 : 0
  • 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) : -3.6
  • 拓扑分子极性表面积 : 166Ų

地夸磷索杂质(18354-06-8)国际标准相关数据

EINECS:

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地夸磷索杂质(18354-06-8)参考资料

Reaxys RN:
PubChem CID: