1.0 2010-04-08 22:15:31 UTC 2019-11-26 03:19:59 UTC FDB021163 (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] Constituent of the roots of cassava (Manihot esculenta). (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] is found in root vegetables. C15H28O10 368.3768 368.168247116 2-(butan-2-yloxy)-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(sec-butoxy)oxane-3,4,5-triol CCC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O InChI=1S/C15H28O10/c1-3-7(2)24-13-11(19)10(18)9(17)8(25-13)4-22-14-12(20)15(21,5-16)6-23-14/h7-14,16-21H,3-6H2,1-2H3 DANFNCOJRRFMIO-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Disaccharides Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound Disaccharide Hydrocarbon derivative O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -1.82 ALOGPS logs -0.50 ALOGPS solubility 1.17e+02 g/l ALOGPS melting_point Mp 114-116° logp -2.3 ChemAxon pka_strongest_acidic 11.71 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-(butan-2-yloxy)-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 368.3768 ChemAxon mono_mass 368.168247116 ChemAxon smiles CCC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O ChemAxon formula C15H28O10 ChemAxon inchi InChI=1S/C15H28O10/c1-3-7(2)24-13-11(19)10(18)9(17)8(25-13)4-22-14-12(20)15(21,5-16)6-23-14/h7-14,16-21H,3-6H2,1-2H3 ChemAxon inchikey DANFNCOJRRFMIO-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 81.04 ChemAxon polarizability 36.55 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20515 Specdb::CMs 47207 Specdb::CMs 150583 Specdb::CMs 150585 Specdb::CMs 150587 Specdb::CMs 152159 Specdb::CMs 279789 Specdb::NmrOneD 45722 Specdb::NmrOneD 45723 Specdb::NmrOneD 45724 Specdb::NmrOneD 45725 Specdb::NmrOneD 45726 Specdb::NmrOneD 45727 Specdb::NmrOneD 45728 Specdb::NmrOneD 45729 Specdb::NmrOneD 45730 Specdb::NmrOneD 45731 Specdb::NmrOneD 45732 Specdb::NmrOneD 45733 Specdb::NmrOneD 45734 Specdb::NmrOneD 45735 Specdb::NmrOneD 45736 Specdb::NmrOneD 45737 Specdb::NmrOneD 45738 Specdb::NmrOneD 45739 Specdb::NmrOneD 45740 Specdb::NmrOneD 45741 Specdb::MsMs 311686 Specdb::MsMs 311687 Specdb::MsMs 311688 Specdb::MsMs 356743 Specdb::MsMs 356744 Specdb::MsMs 356745 Specdb::MsMs 2694288 Specdb::MsMs 2694289 Specdb::MsMs 2694290 Specdb::MsMs 2987055 Specdb::MsMs 2987056 Specdb::MsMs 2987057 HMDB41255 #<Reference:0x000055ce315e0cb8> Root vegetables Unknown generic