1.0 2010-04-08 22:15:46 UTC 2019-11-26 03:20:32 UTC FDB021550 1-Deoxy-D-xylitol Constituent of the fruit of Foeniculum vulgare (fennel). 1-Deoxy-D-xylitol is found in herbs and spices. 1-Deoxy-D-xylitol 5-Deoxy-L-xylitol C5H12O4 136.147 136.073558866 pentane-1,2,3,4-tetrol pentane-1,2,3,4-tetrol 13046-76-9 CC(O)C(O)C(O)CO InChI=1S/C5H12O4/c1-3(7)5(9)4(8)2-6/h3-9H,2H2,1H3 FJGNTEKSQVNVTJ-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Polyols Primary alcohols Aliphatic acyclic compound Hydrocarbon derivative Polyol Primary alcohol Secondary alcohol logp -2.09 ALOGPS logs 0.70 ALOGPS solubility 6.84e+02 g/l ALOGPS melting_point Mp 77-78° logp -2.1 ChemAxon pka_strongest_acidic 12.93 ChemAxon pka_strongest_basic -3 ChemAxon iupac pentane-1,2,3,4-tetrol ChemAxon average_mass 136.147 ChemAxon mono_mass 136.073558866 ChemAxon smiles CC(O)C(O)C(O)CO ChemAxon formula C5H12O4 ChemAxon inchi InChI=1S/C5H12O4/c1-3(7)5(9)4(8)2-6/h3-9H,2H2,1H3 ChemAxon inchikey FJGNTEKSQVNVTJ-UHFFFAOYSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 30.9 ChemAxon polarizability 13.45 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10262 Specdb::MsMs 10263 Specdb::MsMs 10264 Specdb::MsMs 16934 Specdb::MsMs 16935 Specdb::MsMs 16936 Specdb::MsMs 2803540 Specdb::MsMs 2803541 Specdb::MsMs 2803542 Specdb::MsMs 2874581 Specdb::MsMs 2874582 Specdb::MsMs 2874583 Specdb::CMs 22087 Specdb::CMs 47342 Specdb::CMs 116810 Specdb::CMs 154988 Specdb::CMs 825082 Specdb::CMs 825083 Specdb::CMs 825084 Specdb::CMs 825085 Specdb::CMs 825086 Specdb::CMs 825087 Specdb::CMs 825088 Specdb::CMs 825089 Specdb::CMs 825090 Specdb::CMs 825091 Specdb::CMs 825092 Specdb::CMs 825093 Specdb::CMs 825094 Specdb::CMs 825095 Specdb::CMs 825096 Specdb::CMs 825097 Specdb::CMs 825098 Specdb::CMs 825099 Specdb::CMs 825100 Specdb::CMs 825101 Specdb::CMs 825102 Specdb::NmrOneD 46942 Specdb::NmrOneD 46943 Specdb::NmrOneD 46944 Specdb::NmrOneD 46945 Specdb::NmrOneD 46946 Specdb::NmrOneD 46947 Specdb::NmrOneD 46948 Specdb::NmrOneD 46949 Specdb::NmrOneD 46950 Specdb::NmrOneD 46951 Specdb::NmrOneD 46952 Specdb::NmrOneD 46953 Specdb::NmrOneD 46954 Specdb::NmrOneD 46955 Specdb::NmrOneD 46956 Specdb::NmrOneD 46957 Specdb::NmrOneD 46958 Specdb::NmrOneD 46959 Specdb::NmrOneD 46960 Specdb::NmrOneD 46961 HMDB41486 #<Reference:0x000055ce3024a668> Herbs and Spices Unknown generic