Basic information
- CAS
6160-28-7- Standard SMILES
Cl.NC(N)=NC1C(O)C(O)C(O)C(N=C(N)N)C1O- InChIKey
BJAOCERWUCHPCM-UHFFFAOYSA-N- Molecular formula
- C8H19ClN6O4
- Average molar mass
- 298.73 g/mol
- Monoisotopic mass
- 298.1156308
Names & identifiers
- Preferred name
- N,N'-(2,4,5,6-Tetrahydroxycyclohexane-1,3-diyl)diguanidine--hydrogen chloride (1/1)
- IUPAC
- 2-[3-(diaminomethylideneamino)-2,4,5,6-tetrahydroxycyclohexyl]guanidine;hydrochloride
Names & synonyms
DTXSID109771936160-28-7N,N'-(2,4,5,6-Tetrahydroxycyclohexane-1,3-diyl)diguanidine--hydrogen chloride (1/1)
Database identifiers
- CAS
6160-28-7- PubChem CID
- 201526
- DTXSID
DTXSID10977193
Properties
Computed structural properties
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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