UMF
- Molecular formula
- C9 H12 F N2 O8 P
- Molecular weight (g/mol)
- 326.17
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE
- SMILES
- C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)O)F
- Isomeric SMILES
- C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F
- InChI
- InChI=1S/C9H12FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,4,6-8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
- InChIKey
- IFIXUMAFUNKIAA-XVFCMESISA-N
Chemical & physical properties
- HBA
- 7
- HBD
- 4
- TPSA (Ų)
- 151.08
- cLogP
- -1.76
- Chiral atoms
- 4
- Molar refractivity
- 64.13
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.56
- Formal charge
- 0
Calculated properties
QED0.475
NPScore0.060922906
SAScore6.222757856