UVC
- Molecular formula
- C9 H12 N2 O9 V
- Molecular weight (g/mol)
- 343.14
- Classification
- NATURAL_PRODUCT
Related PDB structures · 4
Names & identifiers
- IUPAC name
- URIDINE-2',3'-VANADATE
- SMILES
- C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)O[V](=O)(O3)(O)O
- Isomeric SMILES
- C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O
- InChI
- InChI=1S/C9H10N2O6.2H2O.O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;;;/h1-2,4,6-8,12H,3H2,(H,10,13,16);2*1H2;;/q-2;;;;+4/p-2/t4-,6-,7-,8-;;;;/m1..../s1
- InChIKey
- JSPAHXDHRUTBDP-ODQFIEKDSA-L
Chemical & physical properties
- HBA
- 8
- HBD
- 4
- TPSA (Ų)
- 160.31
- cLogP
- -3.11
- Chiral atoms
- 4
- Molar refractivity
- 57.19
- Rings
- 3
- Aromatic rings
- 1
- Fraction Csp³
- 0.56
- Formal charge
- 0
Calculated properties
QED0.436
NPScore0.019829081
SAScore7.418709772