365-07-1 (胸苷酸,Thymidine-5'-monophosphoric acid)

结构式:
CAS号:
365-07-1
中文名称:
胸苷酸
英文名称:
Thymidine-5'-monophosphoric acid
分子式:
C10H15N2O8P
分子量:
322.208463907242
简介:
胸苷酸Thymidine-5'-monophosphoric acid,英文别名:thymidine 5-monophosphate free acid; thymidine 5-(dihydrogen phosphate); 1-(2-deoxy-5-O-phosphonopentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione; 5'-thymidylic acid
植物源:

胸苷酸(365-07-1)名称与标识符

名称

中文别名:
胸苷酸;胸腺嘧啶脱氧核苷酸;胸苷-5-单磷酸;
英文别名:
Thymidine-5'-monophosphoric acid;thymidine 5-monophosphate free acid;thymidine 5-(dihydrogen phosphate);Thymidine, mono(dihydrogen phosphate) (ester);[3H]-Thymidine monophosphate;5-Methyl-dUMP;deoxytmp;DTMP;DTMP 2NA;thymidinephosphate;TMP;TMP DISODIUM SALT;TMP SODIUM SALT;Deoxythymydilic acid;5-Thymidylic acid;5'-Thymidylic acid (8CI,9CI);UNII-43W3021X6C;5'-TMP;Epitope ID:196259;1tys;thymidine-5''-phosphate;(R)-1-((4S,5R)-4-Hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione;Phosphoric acid mono-[3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester;Thymidine-5'-monophosphorate;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;BDBM50332929;deoxythymidylate;CHEBI:17013;Thymidine 5'MP;((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate;TMP (nucleotide);Thymidine phosphate;Thymidine mononucleotide;365-07-1;Deoxythymidylic acid;5'-Thymidylate;thymidine-5'-phosphate;5'-dTMP;Thymidine 5'-(dihydrogen phosphate);NSC 46713;DB01643;TMP (VAN);NS00014957;Thymidine 5'-phosphoric acid;2'-Deoxythymidine 5'-monophosphate;thymidine monophosphate;2'-Deoxythymidine Monophosphate;THYMIDINE-5''-MONOPHOSPHATE;((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate;Deoxythymidine phosphate;SCHEMBL21257;(dT)1;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate;Deoxy TMP;bmse000296;2''-deoxythymidine monophosphate;Thymidine 5'-phosphorate;DTXSID60904171;Deoxyribosylthymine monophosphate;NSC-46713;C00364;thymidylic acid;Deoxythymidine 5'-monophosphate;Deoxythymydilate;Deoxythymidine monophosphate;Deoxythymidine 5'-phosphate;CHEMBL394429;ribothymidine 5'-monophosphate;{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid;2'-deoxy-5-methyluridine 5'-(dihydrogen phosphate);thymidine-5'-monophosphate;Q23905769;5'-Thymidylic acid;Thymidine 5'-monophosphate;Thymidine 5'-phosphate;43W3021X6C;Thymidylate;QBT;SCHEMBL16092807;L001240;1-(2-Deoxy-5-O-phosphonopentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione;NSC46713;[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;DTXSID10861902;thymidine 5'-monophos-phate;CHEBI:181566;thymidine 5'-phosphate(2-);ribothymidine 5'-monophosphate anion;TMP dianion;

标识符

MDL:
MFCD00067349
InChIKey:
GYOZYWVXFNDGLU-XLPZGREQSA-N
Inchi:
1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
SMILES:
P(=O)(O)(O)OC[C@@H]1[C@H](C[C@H](N2C(NC(C(C)=C2)=O)=O)O1)O

胸苷酸(365-07-1)物化性质

实验特性

  • LogP : -1.39730
  • PSA : 145.63
  • 折射率 : 1.592
  • 沸点 : °Cat760mmHg
  • 熔点 : (Decomposes)
  • 闪点 : °C
  • 颜色与性状 : 白色结晶粉末
  • 密度 : 1.654 g/cm3

计算特性

  • 精确分子量 : 322.05665
  • 氢键供体数量 : 4
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 4
  • 同位素质量 : 322.056602
  • 重原子数量 : 21
  • 复杂度 : 529
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : _2.8
  • 拓扑分子极性表面积 : 146

胸苷酸(365-07-1)安全信息

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