274693-55-9 (1-金刚烷甲基酮中间体,2-{[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol)

CAS号:
274693-55-9
中文名称:
1-金刚烷甲基酮中间体
英文名称:
2-{[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol
分子式:
C10H19NO4
分子量:
217.26216340065

1-金刚烷甲基酮中间体(274693-55-9)名称与标识符

名称

中文别名:
1-金刚烷甲基酮中间体;2-((3AR,4S,6R,6AS)-6-氨基-2,2-甲基四氢-3AH-环戊基[D] [1,3]并二氧-4-氧)乙醇;2-[[(3aR,4S,6R,6aS)-6-氨基四氢-2,2-二甲基-4H-环戊烯并-1,3-二氧杂环戊烷-4-基]氧基]乙醇;1-金刚烷甲基酮;2-[[(3aR,4S,6R,6aS)-6-氨基四氢-2,2-二甲基-4H-环戊烷基-1,3-二酮-4-取代基]氧]乙醇;2-{[(3Ar,4s,6r,6as)-6-氨基-2,2-二甲基四氢-3ah-环戊并[d][1,3]二氧代l-4-基]氧基}乙醇;喹普利拉 -D5;替卡格雷五元环;替卡格雷中间体;替卡格雷中间体1.2;替卡格雷中间体3;
英文别名:
2-(((3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol;Ticagrelor Intermediate1;2-[[(3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol;1-Acetyladamantane Intermediate;2-((3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol;2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;2-[[(3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4Hcyclopenta-1,3-dioxol-4-yl]oxy]ethanol;TICAGRELOR II;Disalicylicenepropanediamine;Disalicylidene-1,3-propanediamine;disalicylidenepropa;disalicylidenepropandiamine;Disalicylidenepropanediamine;N,N'-DISALICYLAL-1,3-PROPANEDIAMINE;N,N-DISALICYLIDENE-1,3-DIAMINOPROPANE;N,N'-DISALICYLIDENE-1,3-PROPANEDIAMINE;2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]-dioxol-4-yl]oxy]-1-ethanol;2-((3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol;Ethanol, 2-[[(3aR,4S,6R,6aS)-6-aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-;2-{[(;2-{[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol;2-((3 aR,4S,6R,6aS)-6-amino-2,2-dimethyl-tetrahydro-3 aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol;2-{[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol;274693-55-9;2-{[(3AR,4S,6R,6AS)-6-AMINO-2,2-DIMETHYL-TETRAHYDRO-3AH-CYCLOPENTA[D][1,3]DIOXOL-4-YL]OXY}ETHANOL;DTXSID40433136;D82263;rel-2-(((3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol;MFCD16875500;CS-0055080;AC-28727;GFJ3CDJ5F9;EX-7176;DB-067793;AKOS015951194;P11947;EN300-7414748;DS-13962;J-506153;2-[[(3aS,4R,6S,6aR)-4-Aminotetrahydro-2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol;2-(6-Amino-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yloxy)-ethanol;WNYYMPICYAOQAE-RYPBNFRJSA-N;(3 aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-amine;SCHEMBL1834548;1423768-25-5;2-{[(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-2H,3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol;

标识符

MDL:
MFCD16875500
InChIKey:
WNYYMPICYAOQAE-RYPBNFRJSA-N
Inchi:
1S/C10H19NO4/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12/h6-9,12H,3-5,11H2,1-2H3/t6-,7+,8+,9-/m1/s1
SMILES:
O1C(C)(C)O[C@@H]2[C@H](C[C@H]([C@H]12)N)OCCO

1-金刚烷甲基酮中间体(274693-55-9)物化性质

实验特性

  • LogP : 0.31530
  • PSA : 73.94000
  • 折射率 : 1.52
  • 沸点 : 338.1°C at 760 mmHg
  • 熔点 : No data available
  • 蒸气压 : No data available
  • 闪点 : 158 ºC
  • 颜色与性状 : No data avaiable
  • 密度 : 1.21

计算特性

  • 精确分子量 : 217.13100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 3
  • 同位素质量 : 217.13140809g/mol
  • 重原子数量 : 15
  • 复杂度 : 234
  • 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
  • 拓扑分子极性表面积 : 73.9

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