TMP
- Molecular formula
- C10 H15 N2 O8 P
- Molecular weight (g/mol)
- 322.21
- Classification
- COFACTOR
Related PDB structures · 4
Names & identifiers
- IUPAC name
- THYMIDINE-5'-PHOSPHATE
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
- Isomeric SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
- InChI
- InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
- InChIKey
- GYOZYWVXFNDGLU-XLPZGREQSA-N
- CAS
- 365-07-1
Chemical & physical properties
- HBA
- 7
- HBD
- 4
- TPSA (Ų)
- 151.08
- cLogP
- -1.4
- Chiral atoms
- 3
- Molar refractivity
- 68.59
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.6
- Formal charge
- 0
Calculated properties
QED0.494
NPScore0.089090231
SAScore6.724686038