D1O
- Molecular formula
- C6 H14 O8 Rh2
- Molecular weight (g/mol)
- 419.98
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- tri-(mi2-acetato-(O, O')-diaqua-dirhodium(II, II)
- SMILES
- CC1O[Rh]23(OC(O[Rh]2(O1)(OC(O3)C)O)C)O
- Isomeric SMILES
- CC1O[Rh]23(OC(O[Rh]2(O1)(OC(O3)C)O)C)O
- InChI
- InChI=1S/3C2H4O2.2H2O.2Rh/c3*1-2(3)4;;;;/h3*2H,1H3;2*1H2;;/q3*-2;;;2*+4/p-2
- InChIKey
- WOIABTFBXKXYRQ-UHFFFAOYSA-L
Chemical & physical properties
- HBA
- 8
- HBD
- 2
- TPSA (Ų)
- 95.84
- cLogP
- -0.24
- Chiral atoms
- 0
- Molar refractivity
- 39.33
- Rings
- 3
- Aromatic rings
- 0
- Fraction Csp³
- 1.0
- Formal charge
- 0
Calculated properties
QED0.519
NPScore0.056790099
SAScore6.166295671