2DA

2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE

Created:	1999-07-08
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where 2DA is found as a standalone ligand1 entries where 2DA is covalently linked to polymer or other heterogen groups 52 entries where 2DA is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	2
Bond Count	37
Aromatic Bond Count	10

2D diagram of 2DA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₄ N₅ O₅ P
Molecular Weight	315.222
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3
SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(O)=O)O3
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)O)N
Canonical SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO[P](O)(O)=O)O3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)COP(=O)(O)O)N
InChI	InChI	1.03	InChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
InChIKey	InChI	1.03	PUSXDQXVJDGIBK-NKWVEPMBSA-N

Related Resource References

Resource Name	Reference
PubChem	65356
ChEMBL	CHEMBL1162296

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.