1-(5-Phosphoribosyl)imidazole-4-acetate
Basic information
- CAS
2888-19-9- Standard SMILES
O=C(O)Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cn1- InChIKey
RDQUQBHPMYFYMX-PEBGCTIMSA-N- Molecular formula
- C10H15N2O9P
- Average molar mass
- 338.21 g/mol
- Monoisotopic mass
- 338.05151706
Names & identifiers
- Preferred name
- 1-(5-Phosphoribosyl)imidazole-4-acetate
- IUPAC
- 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]acetic acid
Names & synonyms
1-(5-Phosphoribosyl)imidazole-4-acetate2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazol-4-yl]acetic acid2-(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl)imidazol-4-yl)acetic acidRefChem:74586C044372888-19-9AC1L995OSCHEMBL178868312-[1-[(3R,4S,5R)-3,4-DIHYDROXY-5-(PHOSPHONOOXYMETHYL)OXOLAN-2-YL]IMIDAZOL-4-YL]ACETIC ACID
Database identifiers
- CAS
2888-19-9- PubChem CID
- 440341
- Nikkaji
- J2.098.321C
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…