1.0 2016-10-03 18:22:10 UTC 2020-05-11 20:42:32 UTC BMDB0011640 BMDB11640 Uridine 2',3'-cyclic phosphate CUMP Uridine 2',3'-cyclophosphate Uridine, cyclic 2',3'-(hydrogen phosphate) Uridine 2',3'-cyclophosphoric acid Uridine, cyclic 2',3'-(hydrogen phosphoric acid) Uridine 2',3'-cyclic phosphoric acid 1-(2,3-O-Phosphinico-a-D-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione 1-(2,3-O-Phosphinico-alpha-delta-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione 2',3'-CUMP Uridine 2',3'-cyclic monophosphate Uridine 2',3'-cyclophosphate, monosodium salt C9H11N2O8P 306.166 306.02530185 1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione 2',3'-cyclic ump 606-02-0 OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)N1C=CC(=O)NC1=O InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/t4-,6-,7-,8-/m1/s1 HWDMHJDYMFRXOX-XVFCMESISA-N belongs to the class of organic compounds known as 2',3'-cyclic pyrimidine nucleotides. These are pyrimidine nucleotides in which the oxygen atoms linked to the C2 and C3 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Cyclic pyrimidine nucleotides 2',3'-cyclic pyrimidine nucleotides Azacyclic compounds Dioxaphospholanes Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Monosaccharides Organic oxides Organic phosphoric acids and derivatives Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Primary alcohols Pyrimidones Ribonucleoside 3'-phosphates Tetrahydrofurans Ureas Vinylogous amides 1,3_dioxaphospholane 2',3'-cyclic pyrimidine ribonucleotide Alcohol Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Pyrimidine Pyrimidone Ribonucleoside 3'-phosphate Tetrahydrofuran Urea Vinylogous amide Aromatic heteropolycyclic compounds 2',3'-Cyclic nucleotides 2',3'-cyclic pyrimidine nucleotide Solid logp -1.30 ALOGPS logs -1.17 ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 1.76 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon average_mass 306.166 ChemAxon mono_mass 306.02530185 ChemAxon smiles OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)N1C=CC(=O)NC1=O ChemAxon formula C9H11N2O8P ChemAxon inchi InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/t4-,6-,7-,8-/m1/s1 ChemAxon inchikey HWDMHJDYMFRXOX-XVFCMESISA-N ChemAxon polar_surface_area 134.63 ChemAxon refractivity 59.66 ChemAxon polarizability 24.7 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 23126 Specdb::MsMs 23127 Specdb::MsMs 23128 Specdb::MsMs 29924 Specdb::MsMs 29925 Specdb::MsMs 29926 Specdb::MsMs 2813501 Specdb::MsMs 2813502 Specdb::MsMs 2813503 Specdb::MsMs 2891550 Specdb::MsMs 2891551 Specdb::MsMs 2891552 Specdb::CMs 17324 Specdb::CMs 39736 Specdb::CMs 149191 Specdb::NmrOneD 93752 Specdb::NmrOneD 93753 Specdb::NmrOneD 93754 Specdb::NmrOneD 93755 Specdb::NmrOneD 93756 Specdb::NmrOneD 93757 Specdb::NmrOneD 93758 Specdb::NmrOneD 93759 Specdb::NmrOneD 93760 Specdb::NmrOneD 93761 Specdb::NmrOneD 93762 Specdb::NmrOneD 93763 Specdb::NmrOneD 93764 Specdb::NmrOneD 93765 Specdb::NmrOneD 93766 Specdb::NmrOneD 93767 Specdb::NmrOneD 93768 Specdb::NmrOneD 93769 Specdb::NmrOneD 93770 Specdb::NmrOneD 93771 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 FDB028337 C02355 388781 439715 28637