1020720-04-0 Purity
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Specification
The molecular formula of adenosine-5-diphosphoglucose is C16H25N5O15P2.
The molecular weight of adenosine-5-diphosphoglucose is 589.3 g/mol.
Adenosine-5-diphosphoglucose was created on April 19, 2010.
Adenosine-5-diphosphoglucose was last modified on December 30, 2023.
The IUPAC name of adenosine-5-diphosphoglucose is [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] hydrogen phosphate.
The InChI of adenosine-5-diphosphoglucose is InChI=1S/C16H25N5O15P2/c17-14-9-15(19-4-18-14)21(5-20-9)16-13(28)12(27)8(34-16)3-33-37(29,30)36-38(31,32)35-7(2-23)11(26)10(25)6(24)1-22/h2,4-8,10-13,16,22,24-28H,1,3H2,(H,29,30)(H,31,32)(H2,17,18,19)/t6-,7+,8-,10-,11-,12-,13-,16-/m1/s1.
The InChIKey of adenosine-5-diphosphoglucose is DJJUUYLZKQCNDW-WAMDDSRMSA-N.
The canonical SMILES of adenosine-5-diphosphoglucose is C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC(C=O)C(C(C(CO)O)O)O)O)O)N.
The XLogP3 value of adenosine-5-diphosphoglucose is -7.1.
Adenosine-5-diphosphoglucose has 9 hydrogen bond donor counts.