CAS: 3063-71-6
名称: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILES:
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O分子加工
分子式
C20H31N4O16P
分子量
614.45
精确质量
614.1473
XLogP
-5.27
TPSA
322.91
氢键给体数
10
氢键受体数
16
可旋转键
11
重原子数
41
环数
3
芳香环
1
饱和环
2
脂环
2
立体中心
11
未定义立体
1
形式电荷
0
杂原子数
21
共价单元
1
sp3占比
0.7
摩尔折射率
128.26
补充信息
InChIKey: TXCIAUNLDRJGJZ-BILDWYJOSA-N
同义词
3063-71-6cytidine monophosphate N-acetylneuraminic acidCmp-nanaAcetylneuraminic acid, CMPCMP acetylneuraminic acidCMP-N-acetylneuraminic acidCMP-Neu5Ac(2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidDTXSID10904348CMP Sialic acidCMP N Acetylneuraminic Acid(2R,4S,5R,6R)-2-(((((2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)-5-acetamido-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)oxane-2-carboxylic acidD-glycero-beta-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, 2-(hydrogen 5'-cytidylate)RefChem:388909Cytidine monophosphate N acetylneuraminic acidDTXCID801333505CMP-Sialic acidCMP-N-acetylneuraminateCYTIDINE 5'-MONOPHOSPHO-N-CMP-NeuNAccytidine-5'-monophospho-N-acetylneuraminic acidCYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid(2R,4S,5R,6R)-5-Acetamido-2-(((((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid22-12-8Cytidine 5'-monophosphate-N-acetylneuraminic acidNCCT8I6M8AXA0Cmp-D-N-acetylneuraminic acidC20H31N4O16P
参与 5 个反应→