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脱氧甘胆酸钠 | 16409-34-0

脱氧甘胆酸钠
Glycodeoxycholic Acid Sodium Salt
16409-34-0
C26H42NNaO5
471.6052
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:脱氧甘胆酸钠结构式
24895386
脱氧甘胆酸钠价格
简介
Glycodeoxycholate Sodium 是一种胆盐。
名称和标识符
MDL MFCD00036742
InChIKey VMSNAUAEKXEYGP-HWWNKFKDSA-M
Inchi 1S/C26H43NO5.Na/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3;/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16-,17-,18?,19-,20?,21?,22+,25?,26?;/m1./s1
SMILES [Na+].O([H])[C@@]1([H])C([H])([H])C2([H])C3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[C@@]3([H])C([H])([H])C([H])([H])C2([H])C2([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(N([H])C([H])([H])C(=O)[O-])=O)C21C([H])([H])[H])O[H]
别名信息
- 中文别名 -
  • 脱氧甘胆酸钠
  • 甘氨脱氧胆酸钠
  • 甘氨脱氧胆酸钠盐
  • Sodium Glycodeoxycholate 甘氨脱氧胆酸钠
  • 甘氨去氧胆酸钠
  • 脱氧甘氨胆酸钠
  • 甘油脱氧胆酸钠盐
  • 甘氨脱氧胆酸钠(进分)
  • 甘氨脱氧胆酸钠、甘油脱氧胆酸钠盐
  • 甘氨脱氧胆酸钠/脱氧甘胆酸钠
  • 脱氧甘胆酸钠;甘氨脱氧胆酸钠
- 英文别名 -
  • Sodium glycodeoxycholate
  • Sodium N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]aminoacetate
  • Glycodeoxycholic Acid Sodium Salt
  • 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid,sodium
  • 3α,12α-Dihydroxy-5β-cholan-24-oic acid N-(carboxymethyl)amide
  • Glycodesoxycholic acid
  • N-(3α,12α-Dihydroxy-24-oxocholan-24-yl)glycine
  • GDCA
  • tcag7.1053
  • GDCA, SODIUM SALT
  • gustducin alpha-3
  • Glycodeoxycholic acid sodiuM sal
  • Anti-GNAT3 antibody produced in goat
  • SODIUM GLYCODEOXYCHOLATE BIOXTRA, >=
  • Sodium
  • 2-[[(4R)-4-[(3R,5R,12S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-t
  • Glycodeoxycholic Acid Sodium Salt
  • N-((3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINOACETATE
  • Q27159959
  • Glycodeoxycholate (Sodium)
  • 16409-34-0
  • cent,12
  • 5beta-Cholanic acid-3alpha,12alpha-diol N-(carboxymethyl)-amide
  • sodium [(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetate
  • Glycodeoxycholic acid sodium salt
  • sodium N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycinate
  • GLYCINE, N-((3.ALPHA.,5.BETA.,12.ALPHA.)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)-, MONOSODIUM SALT
  • 3.ALPHA.,12.ALPHA.-DIHYDROXY-24-(((SODIOOXYCARBONYL)METHYL)AMINO)-5.BETA.-CHOLAN-24-ONE
  • Glycodeoxycholate Sodium
  • GLYCINE, N-((3.ALPHA.,5.BETA.,12.ALPHA.)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)-, SODIUM SALT (1:1)
  • N-(3alpha,12alpha-Dihydroxy-24-oxocholan-24-yl)glycine
  • GLYCINE, N-[(3
  • CHEBI:87819
  • N-(3.ALPHA.,12.ALPHA.-DIHYDROXY-24-OXO-5.BETA.-CHOLAN-24-YL)GLYCINE SODIUM SALT
  • Glycine, N-((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)-, monosodium salt
  • NS00073951
  • 2-((4R)-4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-DIHYDROXY-2,15-DIMETHYLTETRA CYCLO(8.7.0.0(2,7).0(11,15))HEPTADEC-14-YL)PENTANOYLAMINO)ACETIC ACID, SODIUM SALT
  • 6W76V75MT1
  • inverted exclamation mark,5
  • SODIUM (((3.ALPHA.,5.BETA.,12.ALPHA.,20R)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ACETATE
  • inverted exclamation mark)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL]-, SODIUM SALT (1:1)
  • AKOS024386292
  • HY-N1427
  • Sodium N-((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)aminoacetate
  • 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid N-(carboxymethyl)amide
  • SODIUM 2-(((4R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)PENTANOYL)AMINO)ACETATE
  • sodium
  • 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
  • Glycodeoxycholic acid sodium
  • GLYCINE, N-(3.ALPHA.,12.ALPHA.-DIHYDROXY-5.BETA.-CHOLAN-24-OYL)-, MONOSODIUM SALT
  • UNII-6W76V75MT1
  • N-(2-OXO-2-(SODIOOXY)ETHYL)-3.ALPHA.,12.ALPHA.-DIHYDROXY-5.BETA.-CHOLANE-24-AMIDE
  • sodium 2-[(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetate
  • EX-A3817
  • CS-0016856
  • AS-73534
  • (3.ALPHA.,12.ALPHA.-DIHYDROXY-24-OXO-5.BETA.-CHOLAN-24-YLAMINO)ACETIC ACID SODIUM SALT
  • Sodium glycyldeoxycholate
  • J286.892J
  • MFCD00036742
  • D78059
  • Glycodeoxycholic Acid, Sodium Salt
  • EINECS 240-455-4
  • G-5430
  • Glycodeoxycholicacidsodiumsalt
物化性质
实验特性
LogP 2.65030
PSA 109.69000
沸点 No data available
熔点 205.0 to 209.0 deg-C
蒸气压 No data available
闪点 No data available
溶解度 H2O: 0.1 M at 20 °C, clear, colorless
颜色与性状 未确定
溶解性 H2O: 0.1 M at 20 °C, clear, colorless
密度 0.9330
计算特性
精确分子量 471.29600
氢键供体数量 3
氢键受体数量 5
可旋转化学键数量 6
同位素质量 472.303893
重原子数量 33
复杂度 734
同位素原子数量 0
确定原子立构中心数量 10
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
疏水参数计算参考值(XlogP)
互变异构体数量 3
表面电荷 0
拓扑分子极性表面积 110
国际标准相关数据
EINECS 240-455-4
海关数据
海关编码 29221990
相关文献
专业数据库参考
PubChemId 24895386
参考资料
Reaxys RN 3847291
化合物详情(旧版)

SMILES

[Na].OC(=O)CNC(=O)CC[C@@H](C)[C@@H]1[C@]2(C)[C@@H](CC1)[C@H]3[C@H](C[C@@H]2O)[C@]4(C)[C@@H](C[C@H](O)CC4)CC3

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