120205-48-3 ((3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride,tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochloride)

CAS号:
120205-48-3
中文名称:
(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride
英文名称:
tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochloride
分子式:
C14H30ClNO3
分子量:
295.845903873444

(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride(120205-48-3)名称与标识符

名称

中文别名:
(3R,4S,5S)-3-甲氧基-5-甲基-4-(甲基氨基)庚酸叔丁酯盐酸盐;(2-甲酰基吡啶-3-基)氨基甲酸叔丁酯;(3R,4S,5S)-3-甲氧基-5-甲基-4-(甲基氨基)庚酸 1,1-二甲基乙酯盐酸盐;(3R,4S,5S)-3-甲氧基-5-甲基-4-(甲基氨基)庚酸1,1-二甲基乙基酯盐酸盐;3R,4S,5S)-叔丁基3-甲氧基-5-甲基-4-(甲基氨基)庚酸酯盐酸盐;海兔毒素中间体3;
英文别名:
(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride;(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoic Acid 1,1-Dimethylethyl Ester Hydrochloride;(3R,4S,5S)-3-Methoxy;(3R,4S,5S)-tert-butyl-3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride;2-Methyl-2-propanyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino) heptanoate hydrochloride (1:1);(3R,4R)-1-tert-butoxycarbonyl-3-hydroxy-4-(hydroxymethyl)pyrrolidine;(3R,4R)-N-tert-butoxycarbonyl-3-h;(3R,4S)-3-Amino-4-hydroxy-azepane-1-carboxylic acid tert-butyl ester;3R,4S,5S-tert-butyl 3-methoxy-5-methyl-4-;Dil tert-butyl ester hydrochloride;methylaminoheptanoatehydrochloride;tert-butyl (3R*,4R*)-4-amino-3-hydroxy-piperidine-1-carboxylate;tert-butyl (3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;EOS-60618;Dil-OtBu.HCl;Dolaisoleucine Hydrochloride (DIL-HCl);tert-Butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride;(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydrochloride (Dil-HCl);(3r,4s,5s)-tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride;JRXGCIIOQALIMZ-LWEGJDAASA-N;AK174304;C14H29NO3.ClH;RL00795;Y1817;T;(3r,4s,5s)-tert-butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate HCl;tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochl;tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochloride;Monomethyl auristatin E intermediate-1;F19577;HY-33048;tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate, hydrochloride salt;AMY30689;MFCD19688575;120205-48-3;SCHEMBL5656221;CS-B0840;J-501267;DS-8692;tert.-butyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)-heptanoate hydrochloride;C14H30ClNO3;VEA20548;AKOS016016038;

标识符

MDL:
MFCD19688575
InChIKey:
JRXGCIIOQALIMZ-LWEGJDAASA-N
Inchi:
1S/C14H29NO3.ClH/c1-8-10(2)13(15-6)11(17-7)9-12(16)18-14(3,4)5;/h10-11,13,15H,8-9H2,1-7H3;1H/t10-,11+,13-;/m0./s1
SMILES:
Cl.O(C)[C@H](CC(=O)OC(C)(C)C)[C@H]([C@@H](C)CC)NC

(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride(120205-48-3)物化性质

实验特性

  • LogP : 3.56020
  • PSA : 47.56000

计算特性

  • 精确分子量 : 295.19100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 9
  • 同位素质量 : 295.1914215g/mol
  • 重原子数量 : 19
  • 复杂度 : 248
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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 : 2
  • 拓扑分子极性表面积 : 47.6

(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride(120205-48-3)安全信息

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