1.0 2016-10-03 18:22:47 UTC 2020-04-22 15:45:55 UTC BMDB0011680 BMDB11680 Inosine 2',3'-cyclic phosphate Inosine 2',3'-cyclic phosphoric acid 2',3' Cyclic imp Inosine cyclic 2',3'-(hydrogen phosphate) Inosine cyclic 2',3'-monophosphate Inosine cyclic 2,3 monophosphate Inosine cyclic-2',3'-monophosphate 2',3'-Cyclic imp C10H11N4O7P 330.1907 330.036535238 9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-6,9-dihydro-3H-purin-6-one 9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3H-purin-6-one 15569-30-9 OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)N1C=NC2=C1NC=NC2=O InChI=1S/C10H11N4O7P/c15-1-4-6-7(21-22(17,18)20-6)10(19-4)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1 SBJVDTBACUMFFD-KQYNXXCUSA-N belongs to the class of organic compounds known as 2',3'-cyclic purine nucleotides. These are purine 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 Purine nucleotides Cyclic purine nucleotides 2',3'-cyclic purine nucleotides 6-oxopurines Azacyclic compounds Dioxaphospholanes Heteroaromatic compounds Hydrocarbon derivatives Hypoxanthines Monosaccharides N-substituted imidazoles Organic oxides Organic phosphoric acids and derivatives Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Primary alcohols Pyrimidones Ribonucleoside 3'-phosphates Tetrahydrofurans Vinylogous amides 1,3_dioxaphospholane 2',3'-cyclic purine ribonucleotide 6-oxopurine Alcohol Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Imidazopyrimidine Monosaccharide N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Purine Purinone Pyrimidine Pyrimidone Ribonucleoside 3'-phosphate Tetrahydrofuran Vinylogous amide Aromatic heteropolycyclic compounds Solid logp -1.12 ALOGPS logs -2.09 ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 1.72 ChemAxon pka_strongest_basic 2.78 ChemAxon iupac 9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-6,9-dihydro-3H-purin-6-one ChemAxon average_mass 330.1907 ChemAxon mono_mass 330.036535238 ChemAxon smiles OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)N1C=NC2=C1NC=NC2=O ChemAxon formula C10H11N4O7P ChemAxon inchi InChI=1S/C10H11N4O7P/c15-1-4-6-7(21-22(17,18)20-6)10(19-4)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1 ChemAxon inchikey SBJVDTBACUMFFD-KQYNXXCUSA-N ChemAxon polar_surface_area 144.5 ChemAxon refractivity 67.99 ChemAxon polarizability 27.57 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 11638 Specdb::CMs 39762 Specdb::CMs 136594 Specdb::CMs 144328 Specdb::MsMs 291688 Specdb::MsMs 291689 Specdb::MsMs 291690 Specdb::MsMs 331666 Specdb::MsMs 331667 Specdb::MsMs 331668 Specdb::MsMs 2695269 Specdb::MsMs 2695270 Specdb::MsMs 2695271 Specdb::MsMs 2986519 Specdb::MsMs 2986520 Specdb::MsMs 2986521 Specdb::NmrOneD 93932 Specdb::NmrOneD 93933 Specdb::NmrOneD 93934 Specdb::NmrOneD 93935 Specdb::NmrOneD 93936 Specdb::NmrOneD 93937 Specdb::NmrOneD 93938 Specdb::NmrOneD 93939 Specdb::NmrOneD 93940 Specdb::NmrOneD 93941 Specdb::NmrOneD 93942 Specdb::NmrOneD 93943 Specdb::NmrOneD 93944 Specdb::NmrOneD 93945 Specdb::NmrOneD 93946 Specdb::NmrOneD 93947 Specdb::NmrOneD 93948 Specdb::NmrOneD 93949 Specdb::NmrOneD 93950 Specdb::NmrOneD 93951 C05768 35032088 136144476 FDB028368 Coproporphyrinogen I 6516 175197