5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3-)
Basic information
- Standard SMILES
O=C([O-])Nc1cncn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O- InChIKey
JHLXDWGVSYMXPL-XVFCMESISA-K- Molecular formula
- C9H11N3O9P-3
- Average molar mass
- 336.17 g/mol
- Monoisotopic mass
- 336.02329093
Overview
5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3-) is trianion of 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole arising from deprotonation of phosphate and carbamic acid functions. It is a conjugate base of a 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole.
Names & identifiers
- Preferred name
- 5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3-)
- IUPAC
- N-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazol-4-yl]carbamate
Names & synonyms
5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3-)N5-CAIRCHEBI:58730DTXSID801344104Q271260005-Carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3a)N-carboxylato-1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-imidazol-5-amineN-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazol-4-yl]carbamate
Database identifiers
- PubChem CID
- 25202011
- DTXSID
DTXSID801344104- ChEBI
CHEBI:58730
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- -3
- Complexity
- 443
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Related reactions
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Compound notes
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