Basic information
- CAS
67293-76-9- Standard SMILES
CC12CC3CC(C)(C1)CC(CN=C(N)CSP(=O)([O-])O)(C3)C2.CC12CC3CC(C)(C1)CC(CN=C(N)CSP(=O)([O-])O)(C3)C2.O.O.O.O.O.O.O.[Na+].[Na+]- InChIKey
VCIUAFOHMQQZIY-UHFFFAOYSA-L- Molecular formula
- C30H66N4Na2O13P2S2
- Average molar mass
- 862.9 g/mol
- Monoisotopic mass
- 862.33384308
Names & identifiers
- Preferred name
- Methanethiol, N-((3,5-dimethyl)-1-adamantylmethyl)amidino-, hydrogen phosphorothioate, sodium salt, hydrate (2:2:7)
- IUPAC
- disodium;bis([2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanyl-hydroxyphosphinate);heptahydrate
Names & synonyms
67293-76-9Methanethiol, N-((3,5-dimethyl)-1-adamantylmethyl)amidino-, hydrogen phosphorothioate, sodium salt, hydrate (2:2:7)RefChem:352441
Database identifiers
- CAS
67293-76-9- PubChem CID
- 64469
Properties
Computed structural properties
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 10
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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