2′,5′-DIDEOXY-ADENOSINE 3′-MONOPHOSPHATE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

6-aminopurines

Organic compounds

Organoheterocyclic compounds

Imidazopyrimidines

Purines and purine derivatives

Calculated Property

kind Value Source
logP -1.8 ALOGPS
logS -2.1 ALOGPS
Water Solubility 2.35e+00 g/l ALOGPS
logP -2.8 ChemAxon
IUPAC Name {[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-methyloxolan-3-yl]oxy}phosphonic acid ChemAxon
Traditional IUPAC Name [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxyphosphonic acid ChemAxon
Molecular Weight 315.2224 ChemAxon
Monoisotopic Weight 315.073255095 ChemAxon
SMILES [H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N ChemAxon
Molecular Formula C10H14N5O5P ChemAxon
InChI InChI=1S/C10H14N5O5P/c1-5-6(20-21(16,17)18)2-7(19-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1 ChemAxon
InChIKey InChIKey=NFGZMOICZSFFLB-DSYKOEDSSA-N ChemAxon
Polar Surface Area (PSA) 145.61 ChemAxon
Refractivity 71.01 ChemAxon
Polarizability 28.02 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 8 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 1.16 ChemAxon
pKa (strongest basic) 4.97 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Guanine nucleotide-binding protein G(s) subunit alpha isoforms short : in Human
  • Adenylate cyclase type 2 : in Human
  • Adenylate cyclase type 5 : in Human