6450-77-7 (Deamido-NAD,Nicotinic Acid Adenine Dinucleotide)

CAS号:
6450-77-7
中文名称:
Deamido-NAD
英文名称:
Nicotinic Acid Adenine Dinucleotide
分子式:
C21H26N6O15P2
分子量:
664.409866809845

Deamido-NAD(6450-77-7)名称与标识符

名称

英文别名:
1-[5-[[[[5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]pyridine-5-carboxylate;Nicotinic Acid Adenine Dinucleotide;5'-ester with 3-carboxy-1-b-D-ribofuranosylpyridinium, inner salt;Adenosine5'-(trihydrogen diphosphate), P'® Nicotinic acid-adenine dinucleotide; Nicotinate adenine dinucleotide; Desamido NAD; Deamidodiphosphopyridine nucleotide; Deamido-NAD; Codehydrogenase I, nicotinic acid analog; Codehydrogenase I, carboxy deamido analog; Adenine-nicotinic acid dinucleotide; 1: PN: WO2006081329 PAGE: 47 claimed sequence; Pyridinium, 3- carboxy-1-β-D-ribofuranosyl-, hydroxide, 5'→5'-ester with adenosine 5'-(trihydrogen pyrophosphate), inner salt (8CI);3-Carboxy-1-β-D-ribofuranosylpyridinium hydroxide, 5'-ester with adenosine 5'-pyrophosphate, inner salt (6CI,7CI);Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-carboxy-1-β-D-ribofuranosylpyridinium, inner salt;D07GZT;Deamidodiphosphopyridine nucleotide;NICOTINIC ACID-ADENINE DINUCLEOTIDE;Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-carboxy-1-beta-D-ribofuranosylpyridinium inner salt;DTXSID30863847;Adenine-nicotinic acid dinucleotide;starbld0016135;deamidonicotinamide adenine dinucleoetide;3-Carboxy-1-beta-D-ribofuranosylpyridinium hydroxide, 5'-ester with adenosine 5'-pyrophosphate, inner salt;deamido-NAD;nicotinate adenine dinucleotide;4Y1TS06J4H;1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridin-1-ium-3-carboxylate;[1-[5-[[[[5-[(6-amino-9H-purin-9-yl)]-3,4-dihydroxy- tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy- phosphinoyl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-1H- pyrid-5-yl]-oxido-meth;6450-77-7;1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylate;UNII-4Y1TS06J4H;DESAMIDO NADIDE;ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'->5'-ESTER WITH 3-CARBOXY-1-.BETA.-D-RIBOFURANOSYLPYRIDINIUM, INNER SALT;Desamido NAD;C21-H26-N6-O15-P2;Pyridinium, 3-carboxy-1-β-D-ribofuranosyl-, hydroxide, 5'→5'-ester with adenosine 5'-(trihydrogen pyrophosphate), inner salt (8CI);1: PN: WO2006081329 PAGE: 47 claimed sequence;Codehydrogenase I, carboxy deamido analog;Codehydrogenase I, nicotinic acid analog;Deamido-NAD+;Deamino-NAD+;

标识符

InChIKey:
SENPVEZBRZQVST-HISDBWNOSA-N
Inchi:
1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
SMILES:
P(=O)(O)(OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H]([N+]2C=CC=C(C(=O)[O-])C=2)O1)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Deamido-NAD(6450-77-7)物化性质

计算特性

  • 精确分子量 : 664.09313814g/mol
  • 氢键供体数量 : 7
  • 氢键受体数量 : 19
  • 可旋转化学键数量 : 10
  • 同位素质量 : 664.09313814g/mol
  • 重原子数量 : 44
  • 复杂度 : 1120
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 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) : -4.6
  • 拓扑分子极性表面积 : 315Ų

Deamido-NAD(6450-77-7)推荐厂家 更多厂家(4)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
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杭州六可生物科技有限公司 15658003402
0086-571-86912261
Susan 3671025517
询单
苏州探科生物科技有限公司 18962323641王工 2813290504 询单
苏州探科生物科技有限公司 18962323641王工 2813290504 询单