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2'-Cytidylic acid

PubChem CID: 101544

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Compound Synonyms 2'-Cytidylic acid, 85-94-9, Cytidine 2'-monophosphate, 2'-cmp, Cytidine 2'-phosphate, CYTIDINE-2'-MONOPHOSPHATE, Cytidine, 2'-phosphate, 2'-cytidinephosphoric acid, KBN4598ZJQ, EINECS 201-643-1, CHEMBL582887, CHEBI:28507, 2'-CYTIDYLIC ACID [MI], (2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen phosphate, [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, C2P, Cytidine 2?-Monophosphate Disodium Salt, UNII-KBN4598ZJQ, 81487-28-7, Cytidine 2?-Monophosphate, SCHEMBL1968532, Cytidine-2'-monophosphate sodium, YQUAKORMLHPSLZ-XVFCMESISA-N, DTXSID501005321, CYTIDINE-2''-MONOPHOSPHATE, Cytidine-2'-(dihydrogen phosphate), BDBM50298711, AKOS015896919, DB03765, NC03937, NC13474, 2'-CMP sodium, 2'-Cytidylic acid sodium, PD016125, C03104, Cytidine 2?-Monophosphate, Cytidine 2?-Monophosphate, Q27094663, 4-Imino-1-(2-O-phosphonopentofuranosyl)-1,4-dihydropyrimidin-2-ol, (2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yldihydrogenphosphate, 3'(2')-Cytidylic acid, Ribocytidine 3'(2')-Monophosphate, 3'(2')-Cytosylic acid, 3'(2')-CMP, 3'(2')-Cytidinephosphoric Acid
Topological Polar Surface Area 175.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 531.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Uniprot Id P61823
Iupac Name [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Prediction Hob 0.0
Xlogp -3.2
Molecular Formula C9H14N3O8P
Prediction Swissadme 0.0
Inchi Key YQUAKORMLHPSLZ-XVFCMESISA-N
Fcsp3 0.5555555555555556
Logs -0.131
Rotatable Bond Count 4.0
Logd -1.98
Compound Name 2'-Cytidylic acid
Prediction Hob Swissadme 0.0
Exact Mass 323.052
Formal Charge 0.0
Monoisotopic Mass 323.052
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 323.2
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -0.6698561714285712
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
Smiles C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0