(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid

(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid 基本信息
CAS号 41600-14-0 分子式 C30H36N10O11
分子量 712.66700 精确质量  712.25700
PSA  343.34000 LogP  1.30270

基本信息 展开↓

CAS号:
41600-14-0
3D弹球模型:
立即前往扯扯看
分子式:
C30H36N10O11
分子量:
712.66700
中文名称:
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
英文名称:
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
中文别名:
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
英文别名:
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid;
methotrexate triglutamate;
4-NH2-10-CH3-folyldiglutamate;
MTX triglutamate;
4-NH2-10-CH3-folyltriglutamate;
MTX diglutamate;
4-Amino-4-deoxy-N10-methylpteroylglutamyl-g-glutamate;
4-amino-10-methylpteroyldiglutamate
精确分子量/精确质量:
712.25700
极性分子表面积/PSA:
343.34000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: SBFRVUOTZGQNGW-FHWLQOOXSA-N

物化性质展开↓

密度:
1.54g/cm3
折射率:
1.683

合成路线查看所有的合成路线

  • 52853-40-4

    6-溴乙基-喋啶-2,4-二胺

  • +

  • 83816-95-9

    ((S)-4-carboxy-4-((S)-4-carboxy-4-(4-(methylamino)benzamido)butanamido)butanoyl)-L-glutamic acid

  • ~69%

  • 41600-14-0

    (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid

  • 83816-91-5

    dibenzyl ((S)-5-(benzyloxy)-4-((S)-5-(benzyloxy)-4-(4-(((benzyloxy)carbonyl)(methyl)amino)benzamido)-5-oxopentanamido)-5-oxopentanoyl)-L-glutamate

  • 41600-14-0

    (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid

  • 79974-14-4

    79974-14-4

  • 41600-14-0

    (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid

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  • 52853-40-4

    6-溴乙基-喋啶-2,4-二胺

  • 83816-95-9

    ((S)-4-carboxy-4-((S)-4-carboxy-4-(4-(methylamino)benzamido)butanamido)butanoyl)-L-glutamic acid

  • 83816-91-5

    dibenzyl ((S)-5-(benzyloxy)-4-((S)-5-(benzyloxy)-4-(4-(((benzyloxy)carbonyl)(methyl)amino)benzamido)-5-oxopentanamido)-5-oxopentanoyl)-L-glutamate

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