21950-36-7 (5'-氨基-5'-脱氧-2',3'-O-(1-甲基亚乙基)-腺苷酸,5'-aMino-5'-deoxy-2',3'-O-(1-Methylethylidene)-Adenosine)

CAS号:
21950-36-7
中文名称:
5'-氨基-5'-脱氧-2',3'-O-(1-甲基亚乙基)-腺苷酸
英文名称:
5'-aMino-5'-deoxy-2',3'-O-(1-Methylethylidene)-Adenosine
分子式:
C13H18N6O3
分子量:
306.320421695709

5'-氨基-5'-脱氧-2',3'-O-(1-甲基亚乙基)-腺苷酸(21950-36-7)名称与标识符

名称

中文别名:
5'-氨基-2',3'-异丙叉腺苷;5-氨基-5-脱氧-2,3-O-(1-甲基亚乙基)-腺苷酸;5'-氨基-5'-脱氧-2',3'-O-异丙叉腺苷;5'-氨基-5'-脱氧-2',3'-O-(1-甲基亚乙基)-腺苷酸;9-((3aR,4R,6R,6aR)-6-(氨甲基)-2,2-二甲基四氢呋喃并[3,4-d][1,3]二氧戊环-4-基)-9H-嘌呤-6-胺;
英文别名:
5'-Amino-5'-deoxy-2',3'-O-(1-methylethylidene)-adenosine;5'-Amino-5'-deoxy-2',3'-O-isopropylidineadenosine;Adenosine, 5'-amino-5'-deoxy-2',3'-O-(1-methylethylidene)-;N-(indan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine;2',3'-O-isopropylidene-5'-amino-5'-deoxy adenosine;5'-amino-5'-deoxy-2',3'-O-isopropylideneadenosine;5'-amino-5'-deoxy-2',3'-O-isopropylidene-adenosine;9-((3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-amine;9-((3aR,4R,6R,6aR)-6-aminomethyl-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6;SureCN460251;9-[(3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine;9-[(3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-9H-purin-6-amine;C13H18N6O3;AK103035;RGJLVQRLOVOJRF-WOUKDFQISA-N;SB17649;AB0048202;AX8234574;AKOS016005359;9-((3aR,4S,6R,6aR)-6-(Aminomethyl)-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-amine;9-((3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-amine;CS-D1218;SCHEMBL460251;5'-Amino-5'-deoxy-2' pound not3'-O-(1-methylethylidene)-adenosine;A848692;MFCD15833219;DS-4004;5'-Amino-5'-O-(1-methylethylidene)-adenosine;21950-36-7;9-((3 aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-amine;DTXSID20461750;

标识符

MDL:
MFCD15833219
InChIKey:
RGJLVQRLOVOJRF-WOUKDFQISA-N
Inchi:
1S/C13H18N6O3/c1-13(2)21-8-6(3-14)20-12(9(8)22-13)19-5-18-7-10(15)16-4-17-11(7)19/h4-6,8-9,12H,3,14H2,1-2H3,(H2,15,16,17)/t6-,8-,9-,12-/m1/s1
SMILES:
O1[C@H]([C@H]2[C@@H]([C@H]1CN)OC(C)(C)O2)N1C=NC2C(N)=NC=NC1=2

5'-氨基-5'-脱氧-2',3'-O-(1-甲基亚乙基)-腺苷酸(21950-36-7)物化性质

实验特性

  • LogP : 1.06620
  • PSA : 123.33000
  • 沸点 : 553.1±60.0 °C at 760 mmHg
  • 熔点 : 202-203 ºC
  • 蒸气压 : 0.0±1.5 mmHg at 25°C
  • 闪点 : 288.3±32.9 °C
  • 溶解度 : Very 微溶 (0.31 g/L) (25 ºC),
  • 颜色与性状 : No data avaiable
  • 密度 : 1.80±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 306.14403846g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 2
  • 同位素质量 : 306.14403846g/mol
  • 重原子数量 : 22
  • 复杂度 : 438
  • 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) : -1.2
  • 拓扑分子极性表面积 : 123

5'-氨基-5'-脱氧-2',3'-O-(1-甲基亚乙基)-腺苷酸(21950-36-7)安全信息

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