964-26-1 (2’-脱氧尿苷5’-单磷酸,2'-Deoxyuridine 5'-monophosphate)

CAS号:
964-26-1
中文名称:
2’-脱氧尿苷5’-单磷酸
英文名称:
2'-Deoxyuridine 5'-monophosphate
分子式:
C9H13N2O8P
分子量:
308.181883573532
API:

2’-脱氧尿苷5’-单磷酸(964-26-1)名称与标识符

名称

中文别名:
2'-脱氧胸苷-5'-三磷酸三钠二水;
英文别名:
5'-Uridylic acid,2'-deoxy-;[3H]-2'-Deoxyuridine 5'-phosphate;dUMP;Deoxyuridine monophosphate;2'-deoxyuridylic acid;Deoxyuridylic acid;2'-Deoxyuridine 5'-monophosphate;2'-deoxy-5'-uridylic acid;Deoxyuridine 5'-phosphate;2'-Deoxyuridine 5'-phosphate;Deoxy-UMP;2'-Deoxyuridylate;2'-DEOXYURIDINE-5'-MONOPHOSPHATE;deoxyuridylate;Deoxyuridine 5'-monophosphate;5'-Uridylic acid, 2'-deoxy-;Uridine, 2'-deoxy-, 5'-phosphate;Uridine, 2'-deoxy-, 5'-(dihydrogen phosphate);2'-Deoxy-UMP;1tsy;1tsv;1njd;1njb;1jmi;BRN 0042143;1jmf;1bp0;CHEMBL211312;SCHEMBL8200;N9J10KFG94;BDBM50186267;Q2741362;EINECS 213-518-9;2'-deoxyuridine-5'-phosphate;2''-Deoxyuridinemonophosphate;2''-deoxy-5''-uridylic acid;DTXSID20242223;C00365;((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate;CHEBI:17622;2'-Deoxyuridinemonophosphate;964-26-1;1jmg;2'-Deoxy-5'-uridylate;Phosphoric acid mono-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester;BDBM50028108;UNII-N9J10KFG94;NS00015087;1-{(4S,2R,5R)-4-Hydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1,3-dihydropyrimidine-2,4-dione;2,4(1H,3H)-pyrimidinedione, 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-;[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;2'-DEOXY-5'-UMP;DB03800;{[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid;dUMP dianion;deoxyuridine 5'-phosphate dianion;deoxyuridine 5'-phosphate(2-);1ST169837;2'-Deoxyuridine-5'-monophosphate free acid;

标识符

InChIKey:
JSRLJPSBLDHEIO-SHYZEUOFSA-N
Inchi:
1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
SMILES:
P(=O)(O)(O)OC[C@@H]1[C@H](C[C@H](N2C=CC(NC2=O)=O)O1)O
BRN:
0042143

2’-脱氧尿苷5’-单磷酸(964-26-1)物化性质

实验特性

  • LogP : -0.82930
  • PSA : 166.55000
  • 密度 : 1.742

计算特性

  • 精确分子量 : 308.041
  • 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 : 308.041
  • 重原子数量 : 20
  • 复杂度 : 488
  • 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) : -3.3
  • 拓扑分子极性表面积 : 146

2’-脱氧尿苷5’-单磷酸(964-26-1)安全信息

2’-脱氧尿苷5’-单磷酸(964-26-1)国际标准相关数据

EINECS:
213-518-9

2’-脱氧尿苷5’-单磷酸(964-26-1)推荐厂家 更多厂家(4)

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