Purine, 2,6-diamino-, sulfate, hydrate
Basic information
- CAS
116295-72-8- Standard SMILES
Nc1nc(N)c2[nH]cnc2n1.Nc1nc(N)c2[nH]cnc2n1.O.O=S(=O)(O)O- InChIKey
QHCSVCLBFWLFTE-UHFFFAOYSA-N- Molecular formula
- C10H16N12O5S
- Average molar mass
- 416.38 g/mol
- Monoisotopic mass
- 416.10873283
Names & identifiers
- Preferred name
- Purine, 2,6-diamino-, sulfate, hydrate
- IUPAC
- bis(7H-purine-2,6-diamine);sulfuric acid;hydrate
- English name
- 1H-Purine-2,6-diamine sulfate (2:1) monohydrate
- Molecular formula
- C5H6N6.H2O.H2O4S
- Molecular weight
- 266.237
Names & synonyms
116295-72-8Purine, 2,6-diamino-, sulfate, hydrate7H-purine-2,6-diamine;sulfuric acid;hydrate1H-Purine-2,6-diamine sulfate (2:1) monohydrate1H-Purine-2,6-diamine sulfate (22,6-Diaminopurine hemisulfate hydrateDTXSID50333698AKOS0158995277H-purine-2,6-diamine sulfate hydrate(2:1:1)Sulfuric acid--7H-purine-2,6-diamine--water (1/2/1)2,6-DIAMINOPURINE HEMISULFATE HEMIHYDRATE2,6-Diaminopurine hemisulfate salt hydrate
Database identifiers
- CAS
116295-72-8- PubChem CID
- 517409
- DTXSID
DTXSID50333698
Properties
Computed structural properties
- Topological polar surface area
- 297 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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