Basic information
- CAS
67465-43-4- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(CC([CH2][Hg])OC(C)C)C1=O.O- InChIKey
WLHWUCYISQFHDN-UHFFFAOYSA-N- Molecular formula
- C14H25HgN2O5
- Average molar mass
- 501.95 g/mol
- Monoisotopic mass
- 503.146991
Names & identifiers
- Preferred name
- 3-(5,5-Diethyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)-2-((propan-2-yl)oxy)propyl--mercury--water (1/1/1)
- IUPAC
- [3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-2-propan-2-yloxypropyl]mercury;hydrate
Names & synonyms
DTXSID6098677067465-43-4RefChem:1066920DTXCID8014139453-(5,5-Diethyl-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl)-2-((propan-2-yl)oxy)propyl--mercury--water (1/1/1)N-(2-Isopropoxy-3-hydroxymercuripropyl)barbitalHydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)pyrimidino)-2-isopropoxypropyl)mercuryMercury, hydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)pyrimidino)-2-isopropoxypropyl)-Mercury, [3-(5,5-diethyltetrahydro-2,4,6-trioxo-1(2H)-pyrimidinyl)-2-(1-methylethoxy)propyl]hydroxy-{3-(5,5-Diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-2-[(propan-2-yl)oxy]propyl}hydroxidomercury
Database identifiers
- CAS
67465-43-4- PubChem CID
- 49879
- DTXSID
DTXSID60986770
Properties
Computed structural properties
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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