1.0 2010-04-08 22:09:51 UTC 2025-11-18 23:31:27 UTC FDB011837 Clitocine Nucleoside isolated from the mushroom Clitocybe inversa (edibility unknown). Clitocine is found in mushrooms. 6-Amino-5-nitro-4-(ribofuranosylamino)pyrimidine 6-Amino-5-nitro-4-imino-b-D-ribofuranosylpyrimidine N-(6-Amino-5-nitro-4-pyrimidinyl)-b-D-ribofuranosylamine, 9CI C9H13N5O6 287.2294 287.086583173 2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol 2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol 105798-74-1 NC1=C(C(NC2OC(CO)C(O)C2O)=NC=N1)N(=O)=O InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13) OHEMBWZZEKCBAS-UHFFFAOYSA-N belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Glycosylamines Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Nitroaromatic compounds Organic oxides Organic oxoazanium compounds Organic zwitterions Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Primary amines Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Secondary alkylarylamines Tetrahydrofurans Alcohol Allyl-type 1,3-dipolar organic compound Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle C-nitro compound Heteroaromatic compound Hydrocarbon derivative Imidolactam Monosaccharide N-glycosyl compound Nitroaromatic compound Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Primary amine Propargyl-type 1,3-dipolar organic compound Pyrimidine Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Tetrahydrofuran logp -1.43 ALOGPS logs -1.68 ALOGPS solubility 6.01e+00 g/l ALOGPS melting_point Mp 228-230° logp -0.66 ChemAxon pka_strongest_acidic 7.83 ChemAxon pka_strongest_basic 3.56 ChemAxon iupac 2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol ChemAxon average_mass 287.2294 ChemAxon mono_mass 287.086583173 ChemAxon smiles NC1=C(C(NC2OC(CO)C(O)C2O)=NC=N1)N(=O)=O ChemAxon formula C9H13N5O6 ChemAxon inchi InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13) ChemAxon inchikey OHEMBWZZEKCBAS-UHFFFAOYSA-N ChemAxon polar_surface_area 179.57 ChemAxon refractivity 67.27 ChemAxon polarizability 25.11 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14374 Specdb::CMs 43462 Specdb::CMs 156041 Specdb::MsMs 74175 Specdb::MsMs 74176 Specdb::MsMs 74177 Specdb::MsMs 133485 Specdb::MsMs 133486 Specdb::MsMs 133487 Specdb::MsMs 2380020 Specdb::MsMs 2380021 Specdb::MsMs 2380022 Specdb::MsMs 2559066 Specdb::MsMs 2559067 Specdb::MsMs 2559068 Specdb::NmrOneD 121778 Specdb::NmrOneD 121779 Specdb::NmrOneD 121780 Specdb::NmrOneD 121781 Specdb::NmrOneD 121782 Specdb::NmrOneD 121783 Specdb::NmrOneD 121784 Specdb::NmrOneD 121785 Specdb::NmrOneD 121786 Specdb::NmrOneD 121787 Specdb::NmrOneD 121788 Specdb::NmrOneD 121789 Specdb::NmrOneD 121790 Specdb::NmrOneD 121791 Specdb::NmrOneD 121792 Specdb::NmrOneD 121793 Specdb::NmrOneD 121794 Specdb::NmrOneD 121795 Specdb::NmrOneD 121796 Specdb::NmrOneD 121797 HMDB33718 #<Reference:0x000055ce323c2548> #<Reference:0x000055ce323c2390> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322