4-Carboxyphenylglyoxal GMP
Basic information
- CAS
72209-16-6- Standard SMILES
O=C(O)c1ccc(C2(O)C(O)Nc3nc4c(ncn4[C@@H]4O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]4O)c(=O)n32)cc1- InChIKey
YZXNLRWRPOWVCC-GSOPKRQVSA-N- Molecular formula
- C19H20N5O12P
- Average molar mass
- 541.4 g/mol
- Monoisotopic mass
- 541.08460809
Names & identifiers
- Preferred name
- 4-Carboxyphenylglyoxal GMP
- IUPAC
- 4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6,7-dihydroxy-9-oxo-5,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid
Names & synonyms
4-Carboxyphenylglyoxal GMPp-Carboxyphenylglyoxal GMP72209-16-6Benzoic acid, 4-(4,6,7,9-tetrahydro-6,7-dihydroxy-9-oxo-3-(5-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo(1,2-a)purin-7-yl)-RefChem:98282DTXSID709929434-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6,7-dihydroxy-9-oxo-5,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid7-(4-Carboxyphenyl)-6,7-dihydroxy-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,5,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one7-(4-Carboxyphenyl)-6,7-dihydroxy-3-(5-O-phosphonopentofuranosyl)-3,5,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one
Database identifiers
- CAS
72209-16-6- PubChem CID
- 192006
- DTXSID
DTXSID70992943
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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