1.0 2010-04-08 22:09:52 UTC 2019-11-26 03:05:34 UTC FDB011853 L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol Constituent of the fruit of Foeniculum vulgare (fennel). L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol is found in caraway and herbs and spices. (+)-(3R)-Hydroxymethylbutane-1,2,3,4-tetrol (3R)-Hydroxymethylbutane-1,2,3,4-tetrol 2-(Hydroxymethyl)-1,2,3,4-butanetetrol, 9CI; L-form C5H12O5 152.1458 152.068473494 2-(hydroxymethyl)butane-1,2,3,4-tetrol apiitol 217975-02-5 OCC(O)C(O)(CO)CO InChI=1S/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2 SDXWEZQDLHNYFR-UHFFFAOYSA-N belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group. Sugar alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic acyclic compounds Hydrocarbon derivatives Polyols Primary alcohols Secondary alcohols Tertiary alcohols Alcohol Aliphatic acyclic compound Hydrocarbon derivative Polyol Primary alcohol Secondary alcohol Sugar alcohol Tertiary alcohol tetritol derivative logp -2.22 ALOGPS logs 0.65 ALOGPS solubility 6.74e+02 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)butane-1,2,3,4-tetrol ChemAxon average_mass 152.1458 ChemAxon mono_mass 152.068473494 ChemAxon smiles OCC(O)C(O)(CO)CO ChemAxon formula C5H12O5 ChemAxon inchi InChI=1S/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2 ChemAxon inchikey SDXWEZQDLHNYFR-UHFFFAOYSA-N ChemAxon polar_surface_area 101.15 ChemAxon refractivity 32.66 ChemAxon polarizability 14.3 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22597 Specdb::CMs 43469 Specdb::CMs 132774 Specdb::CMs 140508 Specdb::MsIr 6222 Specdb::MsIr 6223 Specdb::MsIr 6224 Specdb::MsMs 63633 Specdb::MsMs 63634 Specdb::MsMs 63635 Specdb::MsMs 120603 Specdb::MsMs 120604 Specdb::MsMs 120605 Specdb::MsMs 2837700 Specdb::MsMs 2837701 Specdb::MsMs 2837702 Specdb::MsMs 2868723 Specdb::MsMs 2868724 Specdb::MsMs 2868725 Specdb::NmrOneD 121798 Specdb::NmrOneD 121799 Specdb::NmrOneD 121800 Specdb::NmrOneD 121801 Specdb::NmrOneD 121802 Specdb::NmrOneD 121803 Specdb::NmrOneD 121804 Specdb::NmrOneD 121805 Specdb::NmrOneD 121806 Specdb::NmrOneD 121807 Specdb::NmrOneD 121808 Specdb::NmrOneD 121809 Specdb::NmrOneD 121810 Specdb::NmrOneD 121811 Specdb::NmrOneD 121812 Specdb::NmrOneD 121813 Specdb::NmrOneD 121814 Specdb::NmrOneD 121815 Specdb::NmrOneD 121816 Specdb::NmrOneD 121817 HMDB33730 #<Reference:0x000055ce332d8c30> Caraway Type 1 specific Carum carvi 48032 Herbs and Spices Unknown generic