Deoxyadenosine

C10H13N5O3 — CID 13730

IUPAC(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESC1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChIInChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
InChIKeyOLXZPDWKRNYJJZ-RRKCRQDMSA-N
MW251.24 g/mol
LogP-0.50
Rot. Bonds2

About Deoxyadenosine

Deoxyadenosine (PubChem CID 13730) has the molecular formula C10H13N5O3 and a molecular weight of 251.24 g/mol. Its IUPAC name is (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound NameDeoxyadenosine
PubChem CID13730
Molecular FormulaC10H13N5O3
Molecular Weight251.24 g/mol
Exact Mass251.10
IUPAC Name(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESC1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChIInChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
InChIKeyOLXZPDWKRNYJJZ-RRKCRQDMSA-N
XLogP-0.50
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity307

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze Deoxyadenosine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Adenosine
CID 60961
Adenosine Monophosphate
CID 6083
Vidarabine
CID 21704
Datp
CID 15993
5'-Methylthioadenosine
CID 439176
Cladribine
CID 20279
5'-Atp
CID 5957
5'-Adp
CID 6022
Camp
CID 6076
Fludarabine
CID 657237
Cordycepin
CID 6303
Clofarabine
CID 119182

Frequently Asked Questions

What is the IUPAC name of Deoxyadenosine?
The IUPAC name of Deoxyadenosine (CID 13730) is (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for Deoxyadenosine?
The canonical SMILES for Deoxyadenosine is C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O.
What is the InChIKey of Deoxyadenosine?
The InChIKey is OLXZPDWKRNYJJZ-RRKCRQDMSA-N. The full InChI is InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1.
What are the key properties of Deoxyadenosine?
Deoxyadenosine has a molecular weight of 251.24 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Deoxyadenosine is sourced from PubChem (CID 13730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).