1.0 2016-10-03 18:22:02 UTC 2020-04-22 15:45:41 UTC BMDB0011632 BMDB11632 L-Iditol (2S,3R,4R,5S)-Hexane-1,2,3,4,5,6-hexol L-Idit Cordycepic acid D-Dulcitol D-Galactitol Dulcite Dulcitol Dulcose Galactitol Glucitol Hexahydric alcohol Hexahydroxyhexane Hexitol Iso-sorbide Isotol Karion L-Gulitol Manna sugar Mannit Mannite Meglumine Mitobronitol Sionit Sionon Siosan Sorbo Sorbol Iditol C6H14O6 182.1718 182.07903818 (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol L-iditol 488-45-9 OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1 FBPFZTCFMRRESA-UNTFVMJOSA-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Sugar alcohols Hydrocarbon derivatives Monosaccharides Polyols Primary alcohols Secondary alcohols Alcohol Aliphatic acyclic compound Hydrocarbon derivative Monosaccharide Polyol Primary alcohol Secondary alcohol Sugar alcohol Aliphatic acyclic compounds iditol Solid logp -2.68 ALOGPS logs 0.10 ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 12.59 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol ChemAxon average_mass 182.1718 ChemAxon mono_mass 182.07903818 ChemAxon smiles OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO ChemAxon formula C6H14O6 ChemAxon inchi InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1 ChemAxon inchikey FBPFZTCFMRRESA-UNTFVMJOSA-N ChemAxon polar_surface_area 121.38 ChemAxon refractivity 38.4 ChemAxon polarizability 17.14 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2550 Specdb::MsIr 2551 Specdb::MsIr 2552 Specdb::MsMs 6468 Specdb::MsMs 180189 Specdb::MsMs 180190 Specdb::MsMs 180191 Specdb::MsMs 182523 Specdb::MsMs 182524 Specdb::MsMs 182525 Specdb::MsMs 439009 Specdb::MsMs 2313047 Specdb::MsMs 2313048 Specdb::MsMs 2313049 Specdb::MsMs 2653337 Specdb::MsMs 2653338 Specdb::MsMs 2653339 Specdb::NmrTwoD 1984 Specdb::CMs 879 Specdb::CMs 880 Specdb::CMs 881 Specdb::CMs 882 Specdb::CMs 3448 Specdb::CMs 30206 Specdb::CMs 30812 Specdb::CMs 30813 Specdb::CMs 30814 Specdb::CMs 39732 Specdb::CMs 134421 Specdb::CMs 142155 Specdb::NmrOneD 2050 Specdb::NmrOneD 93632 Specdb::NmrOneD 93633 Specdb::NmrOneD 93634 Specdb::NmrOneD 93635 Specdb::NmrOneD 93636 Specdb::NmrOneD 93637 Specdb::NmrOneD 93638 Specdb::NmrOneD 93639 Specdb::NmrOneD 93640 Specdb::NmrOneD 93641 Specdb::NmrOneD 93642 Specdb::NmrOneD 93643 Specdb::NmrOneD 93644 Specdb::NmrOneD 93645 Specdb::NmrOneD 93646 Specdb::NmrOneD 93647 Specdb::NmrOneD 93648 Specdb::NmrOneD 93649 Specdb::NmrOneD 93650 Specdb::NmrOneD 93651 C01507 FDB028331 4573729 18202 5460044 CPD-369 Iditol BMDBP00784 Sorbitol dehydrogenase Q58D31 SORD Enzyme