U5P
- Molecular formula
- C9 H13 N2 O9 P
- Molecular weight (g/mol)
- 324.18
- Classification
- NATURAL_PRODUCT
Related PDB structures · 7
Names & identifiers
- IUPAC name
- URIDINE-5'-MONOPHOSPHATE
- SMILES
- C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
- Isomeric SMILES
- C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
- InChI
- InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
- InChIKey
- DJJCXFVJDGTHFX-XVFCMESISA-N
- CAS
- 58-97-9
Chemical & physical properties
- HBA
- 8
- HBD
- 5
- TPSA (Ų)
- 171.31
- cLogP
- -2.73
- Chiral atoms
- 4
- Molar refractivity
- 65.24
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.56
- Formal charge
- 0
Calculated properties
QED0.368
NPScore0.11719145
SAScore6.951779526