7467-10-9 ((2-(acetylamino)-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl}-3-(4-methoxyphenyl)propanamide (non-preferred name))

结构式：

2-(acetylamino)-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl}-3-(4-methoxyphenyl)propanamide (non-preferred name)MOL文件

CAS号：

7467-10-9

英文名称：

2-(acetylamino)-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl}-3-(4-methoxyphenyl)propanamide (non-preferred name)

分子式：

C₂₄H₃₁N₇O₆

分子量：

513.546244859695

2-(acetylamino)-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl}-3-(4-methoxyphenyl)propanamide (non-preferred name)(7467-10-9)名称与标识符

名称

英文别名：

2-(acetylamino)-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl}-3-(4-methoxyphenyl)propanamide (non-preferred name);7467-10-9;NSC-400640;DTXSID70322180;NSC400640;2-Acetamido-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}-3-(4-methoxyphenyl)propanamide (non-preferred name);

标识符

InChIKey：

LADKVYSQIGJMFP-UHFFFAOYSA-N

Inchi：

1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)

SMILES：

O1C(C(C(C1CO)NC(C(CC1C=CC(=CC=1)OC)NC(C)=O)=O)O)N1C=NC2C(=NC=NC1=2)N(C)C

2-(acetylamino)-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl}-3-(4-methoxyphenyl)propanamide (non-preferred name)(7467-10-9)物化性质

实验特性

LogP : 0.16550
PSA : 163.96000
折射率 : 1.68
密度 : 1.47

计算特性

精确分子量 : 513.234
氢键供体数量 : 4
氢键受体数量 : 10
可旋转化学键数量 : 9
同位素质量 : 513.234
重原子数量 : 37
复杂度 : 783
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 5
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） : 0.3
拓扑分子极性表面积 : 164Å²

53-79-2(嘌呤霉素) 21708-87-2(O-去甲基嘌呤霉素) 79574-61-1(1-(2-Fluoro-3-pyridinyl)ethanol) 796856-41-2(1-(2,6-二氯吡啶-4-基)哌嗪) 790667-68-4(4-(3-氨基苯氧基)哌啶-1-羧酸叔丁酯) 796857-60-8([3-AMINO-5-(TRIFLUOROMETHYL)PHENYL]BORONIC ACID) 797047-27-9(N,N'-双（乙氨羰基）-S-甲基异硫脲) 79083-67-3(（1bS，4aS，7aR，7bR，8R，9R）-7b，9,9a-三羟基-3-（羟甲基）-1,1,6,8-四甲基-1,1a，1b，4,4a，7a，7b，8,9,9a-十氢-5H-环丙并[3,4]苯并[1,2-e]azulen-5-酮)

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7467-10-9 ((2-(acetylamino)-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl}-3-(4-methoxyphenyl)propanamide (non-preferred name))

2-(acetylamino)-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl}-3-(4-methoxyphenyl)propanamide (non-preferred name)(7467-10-9)名称与标识符

名称

标识符

2-(acetylamino)-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl}-3-(4-methoxyphenyl)propanamide (non-preferred name)(7467-10-9)物化性质

实验特性

计算特性

目录