1.0 2016-10-03 18:23:00 UTC 2020-04-22 15:46:00 UTC BMDB0011692 BMDB11692 Cytidine 2'-phosphate Cytidine 2'-phosphoric acid 2'-CMP 2'-Cytidylic acid Cytidine 2'-monophosphate {[(3R,4R,5R)-4-hydroxy-2-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonate C9H14N3O8P 323.1965 323.051850951 {[(3R,4R,5R)-2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid [(3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid 85-94-9 NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8?/m1/s1 YQUAKORMLHPSLZ-ZRTZXPPTSA-N belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Pentose phosphates Aminopyrimidines and derivatives Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Imidolactams Monoalkyl phosphates Organic oxides Organopnictogen compounds Oxacyclic compounds Primary alcohols Primary amines Pyrimidones Secondary alcohols Tetrahydrofurans Alcohol Alkyl phosphate Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Imidolactam Monoalkyl phosphate N-glycosyl compound Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Pentose phosphate Phosphoric acid ester Primary alcohol Primary amine Pyrimidine Pyrimidone Secondary alcohol Tetrahydrofuran Aromatic heteromonocyclic compounds Solid logp -1.98 ALOGPS logs -1.27 ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 0.75 ChemAxon pka_strongest_basic -0.65 ChemAxon iupac {[(3R,4R,5R)-2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid ChemAxon average_mass 323.1965 ChemAxon mono_mass 323.051850951 ChemAxon smiles NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O ChemAxon formula C9H14N3O8P ChemAxon inchi InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8?/m1/s1 ChemAxon inchikey YQUAKORMLHPSLZ-ZRTZXPPTSA-N ChemAxon polar_surface_area 175.14 ChemAxon refractivity 65.42 ChemAxon polarizability 26.84 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 306184 Specdb::MsMs 306185 Specdb::MsMs 306186 Specdb::MsMs 349735 Specdb::MsMs 349736 Specdb::MsMs 349737 Specdb::MsMs 2349937 Specdb::MsMs 2349938 Specdb::MsMs 2349939 Specdb::MsMs 2589295 Specdb::MsMs 2589296 Specdb::MsMs 2589297 Specdb::NmrOneD 94072 Specdb::NmrOneD 94073 Specdb::NmrOneD 94074 Specdb::NmrOneD 94075 Specdb::NmrOneD 94076 Specdb::NmrOneD 94077 Specdb::NmrOneD 94078 Specdb::NmrOneD 94079 Specdb::NmrOneD 94080 Specdb::NmrOneD 94081 Specdb::NmrOneD 94082 Specdb::NmrOneD 94083 Specdb::NmrOneD 94084 Specdb::NmrOneD 94085 Specdb::NmrOneD 94086 Specdb::NmrOneD 94087 Specdb::NmrOneD 94088 Specdb::NmrOneD 94089 Specdb::NmrOneD 94090 Specdb::NmrOneD 94091 Specdb::CMs 18128 Specdb::CMs 39769 Specdb::CMs 160634 C03104 FDB028379 53481031 CPD-3710