Adenosine 5'-diphosphate

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

CAS: 58-64-0

Molecular Formula	`C10H15N5O10P2`
Molecular Weight	427.2 g/mol
LogP	-4.6
Topological Polar Surface Area	233.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	6
Exact Mass	427.02942
Heavy Atoms	27
Complexity	637.0

Chemical Identifiers

CAS Number	58-64-0
SMILES	`C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N`
InChIKey	`XTWYTFMLZFPYCI-KQYNXXCUSA-N`

📖 Product Overview

Adenosine 5'-diphosphate (CAS: 58-64-0) is a chemical compound with molecular formula C10H15N5O10P2 and molecular weight 427.2 g/mol. Its IUPAC systematic name is [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate. LogP -4.6 Topological Polar Surface Area 233.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 14 Rotatable Bonds 6 Exact Mass 427.02942 Heavy Atoms 27 Complexity 637.0 InChI Key: XTWYTFMLZFPYCI-KQYNXXCUSA-N. SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N.

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