Basic information
- CAS
769856-67-9- Standard SMILES
COC([CH2][Hg])CNC(=O)NC(=O)CCC(=O)O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.O- InChIKey
HXNBMMFTOHTUEW-UHFFFAOYSA-N- Molecular formula
- C16H25HgN6O8
- Average molar mass
- 630 g/mol
- Monoisotopic mass
- 631.14403
Names & identifiers
- Preferred name
- Butanoic acid, 4-((((2-methoxypropyl)amino)carbonyl)amino)-4-oxo-, mercury complex
- IUPAC
- [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury;1,3-dimethyl-7H-purine-2,6-dione;hydrate
Names & synonyms
RefChem:330790DTXCID502262338065-39-2DTXSID10274775SCHEMBL302397DTXSID701334243NSC44253NSC-44253(3-{[(3-Carboxypropanoyl)carbamoyl]amino}-2-methoxypropyl)(hydroxido)mercury--1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione (1/1)
Database identifiers
- CAS
769856-67-9- PubChem CID
- 24736
- DTXSID
DTXSID701334243
Properties
Computed structural properties
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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