2.0 2012-07-30 14:54:40 -0600 2015-06-03 17:20:42 -0600 ECMDB21134 M2MDB001543 2',3'-Cyclic CMP 2',3'-cyclic CMP is a member of the chemical class known as Pyrimidine 2'-deoxyribonucleosides and Analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2. 2',3'-Cyclic CMP CCMP Cifostodina Cifostodine Cifostodinum Citidine cyclic 2',3'-(hydrogen phosphate) Citidine cyclic 2',3'-(hydrogen phosphoric acid) Cytidine 2',3'-(hydrogen phosphate) Cytidine 2',3'-(hydrogen phosphoric acid) C9H12N3O7P 305.1812 305.041286265 1-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-amino-1,2-dihydropyrimidin-2-one 2',3'-cyclic cmp 633-90-9 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12 InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1 NMPZCCZXCOMSDQ-XVFCMESISA-N Extra-organism Periplasm logp -1.78 ALOGPS logs -1.17 ALOGPS solubility 2.05e+01 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic -0.65 ChemAxon pka_strongest_basic 1.76 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]-4-amino-1,2-dihydropyrimidin-2-one ChemAxon average_mass 305.1812 ChemAxon mono_mass 305.041286265 ChemAxon smiles NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12 ChemAxon formula C9H12N3O7P ChemAxon inchi InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1 ChemAxon inchikey NMPZCCZXCOMSDQ-XVFCMESISA-N ChemAxon polar_surface_area 143.91 ChemAxon refractivity 61.64 ChemAxon polarizability 25.58 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1086183 Specdb::NmrOneD 270678 Specdb::NmrOneD 270679 Specdb::NmrOneD 270680 Specdb::NmrOneD 270681 Specdb::NmrOneD 270682 Specdb::NmrOneD 270683 Specdb::NmrOneD 270684 Specdb::NmrOneD 270685 Specdb::NmrOneD 270686 Specdb::NmrOneD 270687 Specdb::NmrOneD 270688 Specdb::NmrOneD 270689 Specdb::NmrOneD 270690 Specdb::NmrOneD 270691 Specdb::NmrOneD 270692 Specdb::NmrOneD 270693 Specdb::NmrOneD 270694 Specdb::NmrOneD 270695 Specdb::NmrOneD 270696 Specdb::NmrOneD 270697 Specdb::MsMs 24845 Specdb::MsMs 24846 Specdb::MsMs 24847 Specdb::MsMs 31403 Specdb::MsMs 31404 Specdb::MsMs 31405 68934 62159 C02354 27652 2',3'-cyclic-nucleotide 2'-phosphodiesterase/3'-nucleotidase P08331 CPDB_ECOLI cpdB http://ecmdb.ca/proteins/P08331.xml Outer membrane protein N P77747 OMPN_ECOLI ompN http://ecmdb.ca/proteins/P77747.xml Outer membrane pore protein E P02932 PHOE_ECOLI phoE http://ecmdb.ca/proteins/P02932.xml Outer membrane protein F P02931 OMPF_ECOLI ompF http://ecmdb.ca/proteins/P02931.xml Outer membrane protein C P06996 OMPC_ECOLI ompC http://ecmdb.ca/proteins/P06996.xml 2',3'-Cyclic CMP + Water > 3'-CMP + Hydrogen ion R03929 2',3'-Cyclic CMP + Water <> 3'-CMP R03929