3AD
- Molecular formula
- C10 H13 N5 O3
- Molecular weight (g/mol)
- 251.25
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 3'-DEOXYADENOSINE
- SMILES
- c1nc(c2c(n1)n(cn2)C3C(CC(O3)CO)O)N
- Isomeric SMILES
- c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N
- InChI
- InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
- InChIKey
- OFEZSBMBBKLLBJ-BAJZRUMYSA-N
- CAS
- 73-03-0
Chemical & physical properties
- HBA
- 8
- HBD
- 3
- TPSA (Ų)
- 119.31
- cLogP
- -0.95
- Chiral atoms
- 3
- Molar refractivity
- 61.36
- Rings
- 3
- Aromatic rings
- 2
- Fraction Csp³
- 0.5
- Formal charge
- 0
Calculated properties
QED0.629
NPScore0.054155956
SAScore5.599972101