Clitidine 5'-phosphate

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid

Also Known As: Clitidine 5'-phosphate|clitidine 5'-mononucleotide|1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid|1,2,4-Benzenetricarboxylic acid,2-[2-(dimethylamino)ethyl] ester|1,4-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid|1,4-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridine-3-carboxylic acid|4-Imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyridine-3-carboxylic acid|4-Imino-1-(5-O-phosphonopentofuranosyl)-1,4-dihydropyridine-3-carboxylic acid|1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid|1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-4-imino-pyridine-3-carboxylic acid|1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-4-imino-1,4-dihydropyridine-3-carboxylic acid

Molecular Formula	C11H15N2O9P
Molecular Weight	350.0515 g/mol
LogP	-3.1
Topological Polar Surface Area	181.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	350.0515
Monoisotopic Mass	350.0515
Heavy Atoms	23
Complexity	613.0

Chemical Identifiers

CAS Number	65411-71-4
SMILES	C1=CN(C=C(C1=N)C(=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChIKey	LLSDPYFONVWVGW-ZYUZMQFOSA-N