5-Thiobredinin
Basic information
- CAS
93194-37-7- Standard SMILES
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1S- InChIKey
UAAHUTRMZCQRBF-ZIYNGMLESA-N- Molecular formula
- C9H13N3O5S
- Average molar mass
- 275.28 g/mol
- Monoisotopic mass
- 275.0575917
Overview
RN & structure given in first source; RN not in Chemline 10/85
Names & identifiers
- Preferred name
- 5-Thiobredinin
- IUPAC
- 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylimidazole-4-carboxamide
- English name
- 5-thiobredinin
- Molecular formula
- C9H13N3O5S
- Molecular weight
- 275.28162
Names & synonyms
5-Thiobredinin93194-37-7RefChem:1034555-Mercapto-1-beta-D-ribofuranosyl-1H-imidazole-4-carboxamide1H-Imidazole-4-carboxamide, 5-mercapto-1-beta-D-ribofuranosyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylimidazole-4-carboxamideDTXSID40918615UAAHUTRMZCQRBF-ZIYNGMLESA-N1-Pentofuranosyl-5-sulfanyl-1H-imidazole-4-carboxamide5-Mercapto-1-.beta.-d-ribofuranosylimidazole-4-carboxamide1-beta-D-Ribofuranosyl-5-sulfanyl-1H-imidazole-4-carboxamide
Database identifiers
- CAS
93194-37-7- PubChem CID
- 125014
- DTXSID
DTXSID40918615
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
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Related reactions
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Compound notes
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