Basic information
- CAS
50359-76-7- Standard SMILES
NC(=O)c1ccc[n+](CCCn2cnc3c(N)ncnc32)c1.O.O.O.[Br-]- InChIKey
UWYYJYZZJBJPFO-UHFFFAOYSA-N- Molecular formula
- C14H22BrN7O4
- Average molar mass
- 432.27 g/mol
- Monoisotopic mass
- 431.09166
Overview
analog of NAD; structure
Names & identifiers
- Preferred name
- N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromide
- IUPAC
- 1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide;bromide;trihydrate
Names & synonyms
50359-76-7N-(3-(Aden-9-yl)propyl)-3-carbamoylpyridinium bromidePyridinium, 3-(aminocarbonyl)-1-(3-(6-amino-9H-purin-9-yl)propyl)-, bromide, trihydrateRefChem:161879
Database identifiers
- CAS
50359-76-7- PubChem CID
- 191122
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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