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 |
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