Basic information
- CAS
6903-80-6- Standard SMILES
CN(CCOP(=O)([O-])[O-])C(=N)N.[Ca+2]- InChIKey
JGPPAHAPBBEPMR-UHFFFAOYSA-L- Molecular formula
- C4H10CaN3O4P
- Average molar mass
- 235.19 g/mol
- Monoisotopic mass
- 235.0034837
Names & identifiers
- Preferred name
- Calcium 2-(N-methylcarbamimidamido)ethyl phosphate
- IUPAC
- calcium 2-[carbamimidoyl(methyl)amino]ethyl phosphate
Names & synonyms
DTXSID50988783Calcium 2-(N-methylcarbamimidamido)ethyl phosphateCalcium 2-[carbamimidoyl(methyl)amino]ethyl phosphate
Database identifiers
- CAS
6903-80-6- PubChem CID
- 72201053
- DTXSID
DTXSID50988783
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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