2616-64-0 (a-D-Glucopyranuronic acid, 1&reg,a-D-Glucopyranuronic acid, 1®P'-ester with uridine5'-(trihydrogen diphosphate))

CAS号:
2616-64-0
中文名称:
a-D-Glucopyranuronic acid, 1&reg
英文名称:
a-D-Glucopyranuronic acid, 1®P'-ester with uridine5'-(trihydrogen diphosphate)
分子式:
C15H22N2O18P2
分子量:
580.285307407379

a-D-Glucopyranuronic acid, 1&reg(2616-64-0)名称与标识符

名称

中文别名:
UDP-葡萄糖醛酸;a-D-Glucopyranuronic acid, 1®UDP葡萄糖醛酸;
英文别名:
a-D-Glucopyranuronic acid, 1®P'-ester with uridine5'-(trihydrogen diphosphate);[14C]-Uridine diphospho-D-glucuronic acid;UDP-GLCUA;UDP-A-D-GALACTURONIC ACID;UDP-alpha-D-glucuronic acid;a-D-Glucopyranuronic acid, 1®P'-ester with uridine5'-(trihydrogen diphosphate);UDP-D-glucuronic acid;(2S, 3S, 4S, 5R, 6R)-6-[[[(2R, 3S, 4R, 5R)-5-(2, 4-dioxopyrimidin-1-yl)-3, 4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3, 4, 5-trihydroxyoxane-2-carboxylic acid;UDP-;uridine diphosphate glucuronic acid;Uridine 5'-diphosphoglucuronic acid;Udp-glucuronic acid;Udp glucuronic acid;UDP-alpha-D-glucuronate;CHEMBL228057;Uridine-5'-Diphosphoglucuronic Acid;GTPL1784;DB03041;Uridine diphospho-D-glucuronate;HDYANYHVCAPMJV-LXQIFKJMSA-N;uridine 5'-[3-(alpha-D-glucopyranuronosyl) dihydrogen diphosphate];alpha-delta-Glucopyranuronic acid 1-P'-ester with uridine 5'-(trihydrogen diphosphate);alpha-D-Glucopyranuronic acid 1-P'-ester with uridine 5'-(trihydrogen diphosphate);Uridine diphospho-delta-glucuronate;URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID;Uridine pyrophosphoglucuronate;2616-64-0;alpha-D-Glucopyranuronic acid, 1-P'-ester with uridine 5'-(trihydrogen diphosphate);UDP-D-glucuronate;uridine 5'-[3-(D-glucopyranosyloxyuronic acid) dihydrogen diphosphate];UNII-04SZC4MEFQ;Uridine diphospho-delta-glucuronic acid;UDP-glucuronate;Q277638;bmse000292;alpha-delta-Glucopyranuronic acid ester with uridine 5'-pyrophosphate;URIDINE 5'-DIPHOSPHO-.ALPHA.-D-GLUCURONIC ACID;Uridine 5'-diphospho-alpha-delta-glucuronate;UDP glucuronate;Uridine 5'-diphospho-a-D-glucuronic acid;UDPglucuronate;uridine diphosphate glucuronate;UDP-.ALPHA.-D-GLUCURONIC ACID;C00167;Uridine 5'-diphospho-a-D-glucuronate;Glucopyranuronic acid 1-ester with uridine 5'-pyrophosphate;Uridine 5'-diphosphoglucuronate;.ALPHA.-D-GLUCOPYRANURONIC ACID, 1->P'-ESTER WITH URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE);(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;Uridine pyrophosphoglucuronic acid;BDBM50209665;Uridine 5'-diphosphate alpha-D-Glucopyranuronic acid;uridine 5''-[3-(alpha-D-glucopyranuronosyl) dihydrogen diphosphate];Uridinediphosphoglucuronic acid;A-D-glucuronic acid;UDP-alpha-delta-glucuronate;04SZC4MEFQ;Uridine 5'-diphospho-alpha-delta-glucuronic acid;CHEBI:17200;NS00015194;DTXSID00903961;a-D-Glucopyranuronic acid 1->5'-ester with uridine 5'-(trihydrogen pyrophosphate);UDPGA;(2S,3S,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name);UDP-delta-glucuronic acid;UDP-delta-glucuronate;Uridine diphosphate-glucuronate;Uridine diphospho-D-glucuronic acid;UGA;Uridine diphosphoglucuronic acid;a-D-Glucopyranuronic acid ester with uridine 5'-pyrophosphate;Uridine 5'-diphospho-glucuronic acid;alpha-delta-Glucopyranuronic acid 1->5'-ester with uridine 5'-(trihydrogen pyrophosphate);(2R,3R,4R,5S,6R)-6-[[[(2S,3R,4R,5R)-5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;HDYANYHVCAPMJV-UHFFFAOYSA-N;6-{[{[{[5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (non-preferred name);DTXSID50863001;PD022583;L001063;6-((((((5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid;SCHEMBL2787208;BCP29224;udp-?-D-glucuronic acid;(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXY-3,4,5-TRIHYDROXY-OXANE-2-CARBOXYLIC;DA-58863;

标识符

InChIKey:
HDYANYHVCAPMJV-LXQIFKJMSA-N
Inchi:
1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
SMILES:
P(=O)(O)(OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=CC(NC2=O)=O)O1)O)O

a-D-Glucopyranuronic acid, 1&reg(2616-64-0)物化性质

实验特性

  • LogP : -4.70140
  • PSA : 333.68000
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 2.05

计算特性

  • 精确分子量 : 580.03400
  • 氢键供体数量 : 9
  • 氢键受体数量 : 18
  • 可旋转化学键数量 : 9
  • 同位素质量 : 580.034285
  • 重原子数量 : 37
  • 复杂度 : 1040
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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) : -6.4
  • 拓扑分子极性表面积 : 309

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