1.0 2016-09-30 23:19:18 UTC 2020-05-11 20:41:22 UTC BMDB0005923 BMDB05923 N4-Acetylcytidine 4-Acetyl-1-(beta-D-ribofuranosyl)cytosine N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}acetamide 4-Acetyl-1-(b-D-ribofuranosyl)cytosine 4-Acetyl-1-(β-D-ribofuranosyl)cytosine 4-Acetyl-1-(beta-delta-ribofuranosyl)cytosine 4-Acetylcytidine N-4-Acetylcytidine N-Acetyl-cytidine N-Acetylcytidine Acetylcytidine C11H15N3O6 285.2533 285.096085227 N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}acetamide N4-acetylcytidine 3768-18-1 CC(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1 NIDVTARKFBZMOT-PEBGCTIMSA-N belongs to the class of organic compounds known as pyrimidine nucleosides. Pyrimidine nucleosides are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine nucleosides Azacyclic compounds Carboximidic acids Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Propargyl-type 1,3-dipolar organic compounds Pyrimidones Secondary alcohols Tetrahydrofurans Alcohol Aromatic heteromonocyclic compound Azacycle Carboximidic acid Carboximidic acid derivative Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Monosaccharide N-glycosyl compound Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Propargyl-type 1,3-dipolar organic compound Pyrimidine Pyrimidine nucleoside Pyrimidone Secondary alcohol Tetrahydrofuran Aromatic heteromonocyclic compounds acetamides cytidines Solid logp -1.35 ALOGPS logs -1.37 ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 12.47 ChemAxon pka_strongest_basic -3 ChemAxon iupac N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}acetamide ChemAxon average_mass 285.2533 ChemAxon mono_mass 285.096085227 ChemAxon smiles CC(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ChemAxon formula C11H15N3O6 ChemAxon inchi InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1 ChemAxon inchikey NIDVTARKFBZMOT-PEBGCTIMSA-N ChemAxon polar_surface_area 131.69 ChemAxon refractivity 63.99 ChemAxon polarizability 27.16 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 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::CMs 11198 Specdb::CMs 38920 Specdb::CMs 168449 Specdb::MsMs 91437 Specdb::MsMs 91438 Specdb::MsMs 91439 Specdb::MsMs 154821 Specdb::MsMs 154822 Specdb::MsMs 154823 Specdb::MsMs 2244768 Specdb::MsMs 2245324 Specdb::MsMs 2842896 Specdb::MsMs 2842897 Specdb::MsMs 2842898 Specdb::MsMs 2865555 Specdb::MsMs 2865556 Specdb::MsMs 2865557 Specdb::NmrOneD 61332 Specdb::NmrOneD 61333 Specdb::NmrOneD 61334 Specdb::NmrOneD 61335 Specdb::NmrOneD 61336 Specdb::NmrOneD 61337 Specdb::NmrOneD 61338 Specdb::NmrOneD 61339 Specdb::NmrOneD 61340 Specdb::NmrOneD 61341 Specdb::NmrOneD 61342 Specdb::NmrOneD 61343 Specdb::NmrOneD 61344 Specdb::NmrOneD 61345 Specdb::NmrOneD 61346 Specdb::NmrOneD 61347 Specdb::NmrOneD 61348 Specdb::NmrOneD 61349 Specdb::NmrOneD 61350 Specdb::NmrOneD 61351 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB023789 96702 107461 70989 CPD-11648