39923-68-7 (2-Methyl-ADP,Adenosine 5'-(trihydrogen diphosphate), 2-methyl-)

CAS号:
39923-68-7
中文名称:
2-Methyl-ADP
英文名称:
Adenosine 5'-(trihydrogen diphosphate), 2-methyl-
分子式:
C11H17N5O10P2
分子量:
441.227703809738

2-Methyl-ADP(39923-68-7)名称与标识符

名称

英文别名:
Adenosine 5'-(trihydrogen diphosphate), 2-methyl-; 2- Methyladenosine 5'-diphosphate ; 2-Methyladenine 9-β-D-ribofuranoside 5'-diphosphate; 2-Methyl-ADP;2-Methyladenosine 5'-(trihydrogen diphosphate);2-Methyl-ADP;2-Methyladenine 9-β-D-ribofuranoside 5'-diphosphate;2-Methyladenosine 5'-diphosphate;

标识符

InChIKey:
BBJIDCYWKYVLBX-IOSLPCCCSA-N
Inchi:
1S/C11H17N5O10P2/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(18)7(17)5(25-11)2-24-28(22,23)26-27(19,20)21/h3,5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
SMILES:
C(OP(=O)(O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=C(C)N=3)N)N=C2)[C@H](O)[C@@H]1O

2-Methyl-ADP(39923-68-7)物化性质

实验特性

  • PSA : 232.6
  • 沸点 : 775.5±70.0 °C(Predicted)
  • 酸度系数(pKa) : 1.39±0.10(Predicted)
  • 密度 : 2.36±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 441.04521

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