20125-40-0 ((N-(1-methyl-2-phenylethyl)adenosine)

CAS号:
20125-40-0
英文名称:
N-(1-methyl-2-phenylethyl)adenosine
分子式:
C19H23N5O4
分子量:
385.417023897171

N-(1-methyl-2-phenylethyl)adenosine(20125-40-0)名称与标识符

名称

英文别名:
N-(1-methyl-2-phenylethyl)adenosine;N-(1-Phenyl-2-propanyl)adenosine;(4-Methylnitrosoamino)-1-(3-pyridyl)-1-butanol;[125I]-(+/-)-PIA;[14C]-(+/-)-NNAL;[3H]-(+/-)-NNAL;[3H]-(+/-)-PIA;4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanol;4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanol;4-(N-methyl-N-nitrosoamino)-1-(3-pyridyl)-1-butanol;CCRIS 3049;N6-L-phenylisopropyladenosine;N6-Phenylisopropyladen;nnal;rac NNAL;R-N6 -(2-phenyl-1 -methylethyl)adenosine;(S)-N6-(Phenylisopropyl)adenosine;(+)-(Phenylisopropyl)adenosine;N6-((S)-1-Methyl-2-phenylethyl)adenosine;Th 240;(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-((1-phenylpropan-2-yl)amino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol;N6-((S)-Phenylisopropyl)adenosine;Adenosine, N-(1-methyl-2-phenylethyl)-;N(6)-(1-Methyl-2-phenethyl)adenosine;N6-Ppa;(R)-N6-(1-Methyl-2-phenylethyl)adenosine;NS00058165;N(6)-(2-Phenylisopropyl)adenosine;PDSP2_000661;RIRGCFBBHQEQQH-UVCRECLJSA-N;SCHEMBL2506660;S-PIA;20125-40-0;d-(Phenylisopropyl)adenosine;Phenylisopropyl adenosine;PDSP1_000671;Adenosine, N-(1-methyl-2-phenylethyl)-, (S)-;1-Mpead;(S)-N6-Phenyl-2-propyladenosine;d-N6-(Phenylisopropyl)adenosine;(S)-N-(1-Methyl-2-phenylethyl)adenosine;Adenosine, N-((1S)-1-methyl-2-phenylethyl)-;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-{6-[(1-phenylpropan-2-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol;(N6)-1-Phenyl-2-propyladenosine;(+)-N6-(Phenylisopropyl)adenosine;DTXSID501313285;

标识符

InChIKey:
RIRGCFBBHQEQQH-UVCRECLJSA-N
Inchi:
1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11?,13-,15-,16-,19-/m1/s1
SMILES:
O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C(=NC=NC1=2)NC(C)CC1C=CC=CC=1)O)O

N-(1-methyl-2-phenylethyl)adenosine(20125-40-0)物化性质

实验特性

  • PSA : 125.55

计算特性

  • 精确分子量 : 385.17519
  • 氢键供体数量 : 4
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 6
  • 同位素质量 : 385.17500423g/mol
  • 重原子数量 : 28
  • 复杂度 : 509
  • 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 : 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) : 2
  • 拓扑分子极性表面积 : 126Ų

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