Basic information
- CAS
67465-42-3- Standard SMILES
CCOC([CH2][Hg])CN1C(=O)NC(=O)C(CC)(CC)C1=O.O- InChIKey
PVYQPYZFHHBAGB-UHFFFAOYSA-N- Molecular formula
- C13H23HgN2O5
- Average molar mass
- 487.92 g/mol
- Monoisotopic mass
- 489.13134
Names & identifiers
- Preferred name
- 3-(5,5-Diethyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)-2-ethoxypropyl--mercury--water (1/1/1)
- IUPAC
- [3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-2-ethoxypropyl]mercury;hydrate
Names & synonyms
DTXSID50986769RefChem:1066921DTXCID1014139443-(5,5-Diethyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)-2-ethoxypropyl--mercury--water (1/1/1)N-(2-Ethoxy-3-hydroxymercuripropyl)barbital67465-42-3Hydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)-pyrimidino)-2-ethoxypropyl)mercuryMercury, hydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)-pyrimidino)-2-ethoxypropyl)-Mercury, [3-(5,5-diethyltetrahydro-2,4,6-trioxo-1(2H)-pyrimidinyl)-2-ethoxypropyl]hydroxy-[3-(5,5-Diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-2-ethoxypropyl]hydroxidomercury
Database identifiers
- CAS
67465-42-3- PubChem CID
- 49877
- DTXSID
DTXSID50986769
Properties
Computed structural properties
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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