1172-42-5 (二磷酸腺肝钠盐,Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:1))

CAS号:
1172-42-5
中文名称:
二磷酸腺肝钠盐
英文名称:
Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:1)
分子式:
C10H14N5NaO10P2
分子量:
449.182954311371

二磷酸腺肝钠盐(1172-42-5)名称与标识符

名称

中文别名:
比沙可啶相关物质E;二磷酸腺肝钠盐;二磷酸腺苷钠盐;
英文别名:
Adenosine5'-(trihydrogen diphosphate), sodium salt (1:1);ADP monosodium salt;Adenosin-5'-diphosphat Trinatriumsalz;adenosine 5'-hypophosphate trisodium salt;adenosine diphosphate sodium salt;Adenosine5-DiphosphoricAcidTrisodiumSalt(Adp);Adenosine-5'-MonophosphateDisodium;O5'-(1,2,3-trihydroxy-diphosphoryl)-adenosine;Adenosine5'-(trihydrogen diphosphate), monosodium salt (9CI);Adenosine 5'-(trihydrogenpyrophosphate), monosodium salt (8CI);Adenosine 5'-pyrophosphate, sodium salt(7CI);Adenosine-5'-diphosphate monosodium salt;NSC 20267;Sodium ADP; Sodium ADP; NSC 20267; Adenosine-5'-diphosphate monosodium salt; Adenosine 5'-pyrophosphate, sodium salt (7CI); Adenosine 5'-(trihydrogen pyrophosphate), monosodium salt (8CI);Adenosine 5'-(trihydrogen diphosphate), monosodium salt (9CI);Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:1);Adenosine 5'-diphosphate, sodium salt;sodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate;Sodium((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyldihydrogendiphosphate;DTXSID301341117;EN300-7463623;ADP, monosodium salt;sodium (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-({[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}methyl)oxolane-3,4-diol;Adenosine-5'-diphosphate, MonodiuM salt;Adenosine5'-diphosphate,monosodiumsaltdihydrate;J-700144;sodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate;SCHEMBL5498270;A804142;1172-42-5;EINECS 214-631-6;20398-34-9;F74461;Adenosine 5'-diphosphate, monosodium salt;sodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate;Sodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogendiphosphate;MFCD00065470;Adenosine 5'-diphosphoric acid beta-sodium salt;Adenosine 5'-(trihydrogen pyrophosphate), monosodium salt (8CI);Adenosine 5'-pyrophosphate, sodium salt (7CI);Adenosine 5'-diphosphate sodium salt;sodium (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-({[hydrogen phosphonatooxy(hydroxy)phosphoryl]oxy}methyl)oxolane-3,4-diol;NYEHFIIOXORNJT-MCDZGGTQSA-M;Adenosine 5a(2)-(trihydrogen diphosphate), sodium salt (1:1);

标识符

MDL:
MFCD00065470
InChIKey:
NYEHFIIOXORNJT-MCDZGGTQSA-M
Inchi:
1S/C10H15N5O10P2.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
SMILES:
P(=O)(O)(OP(=O)(O)[O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O.[Na+]

二磷酸腺肝钠盐(1172-42-5)物化性质

实验特性

  • LogP : -1.16480
  • PSA : 252.22000

计算特性

  • 精确分子量 : 450.01900
  • 氢键供体数量 : 5
  • 氢键受体数量 : 15
  • 可旋转化学键数量 : 6
  • 同位素质量 : 449.01135994g/mol
  • 重原子数量 : 28
  • 复杂度 : 650
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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 : 2
  • 拓扑分子极性表面积 : 235Ų

二磷酸腺肝钠盐(1172-42-5)国际标准相关数据

EINECS:
214-631-6

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