alpha-Ribazole 5'-phosphate
Basic information
- CAS
975-91-7- Standard SMILES
Cc1cc2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2cc1C- InChIKey
ZMRGXEJKZPRBPJ-SYQHCUMBSA-N- Molecular formula
- C14H19N2O7P
- Average molar mass
- 358.28 g/mol
- Monoisotopic mass
- 358.09298795
Overview
Alpha-ribazole 5'-phosphate is a dimethylbenzimidazole, a ribose monophosphate and a 1-ribosylbenzimidazole. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to an alpha-ribazole. It is a conjugate acid of an alpha-ribazole 5'-phosphate(2-).
Names & identifiers
- Preferred name
- alpha-Ribazole 5'-phosphate
- IUPAC
- [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- English name
- N(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole
- Molecular formula
- C14H19N2O7P
- Molecular weight
- 358.283621
Names & synonyms
975-91-7alpha-ribazole 5'-phosphateALPHA-RIBAZOLE-5'-PHOSPHATETT4G266KJNN(1)-(5-Phosphoribosyl)-5,6-dimethylbenzimidazolen1-(5-phospho-alpha-d-ribosyl)-5,6-dimethylbenzimidazoleCHEBI:16837DTXSID10243007[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate((2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphateRefChem:555933DTXCID70165498
Show more names
Methylcobalamin Impurity 8(1S)-1-(5,6-dimethyl-benzoimidazol-1-yl)-O5-phosphono-D-1,4-anhydro-ribitol
alpha-ribazole-5'-PUNII-TT4G266KJN5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acidN1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazoleBenzimidazole, 5,6-dimethyl-1-alpha-D-ribofuranosyl-, 5'-phosphateMethylcobalamin Impurity 10alpha-ribazole-5'-PO4
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 504
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP-0.524
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 4 G266KJN · TT4G266KJN
Chemistry & industry
Additional notes
DefinitionChEBI: Alpha-ribazole 5'-phosphate is a ribose monophosphate, a 1-ribosylbenzimidazole and a dimethylbenzimidazole. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is functionally related to an alpha-ribazole. It is a conjugate acid of an alpha-ribazole 5'-phosphate(2-).
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