1.0 2020-04-20 17:42:57 UTC 2025-11-19 03:11:21 UTC FDB112199 24,25-Dihydroxyvitamin D C27H44O3 416.6365 416.329045274 (6R)-6-[(1R,3aS,4E,7aR)-4-{2-[(1Z,5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol 24,25-dihydroxyvitamin [H][C@@]12CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@H](O)CCC1=C InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22-,23-,24+,25?,27-/m1/s1 FCKJYANJHNLEEP-OIMXRAFZSA-N belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone, usually secoergostane or secocholestane. Vitamin D and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Tertiary alcohols Triterpenoids Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol Triterpenoid logp 5.47 ALOGPS logs -4.69 ALOGPS solubility 8.44e-03 g/l ALOGPS logp 4.58 ChemAxon pka_strongest_acidic 13.85 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (6R)-6-[(1R,3aS,4E,7aR)-4-{2-[(1Z,5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol ChemAxon average_mass 416.6365 ChemAxon mono_mass 416.329045274 ChemAxon smiles [H][C@@]12CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@H](O)CCC1=C ChemAxon formula C27H44O3 ChemAxon inchi InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22-,23-,24+,25?,27-/m1/s1 ChemAxon inchikey FCKJYANJHNLEEP-OIMXRAFZSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 126.42 ChemAxon polarizability 50.98 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15744 Specdb::CMs 37529 Specdb::CMs 147116 Specdb::CMs 1062359 Specdb::CMs 1062361 Specdb::CMs 1062363 Specdb::CMs 1062365 Specdb::CMs 1062367 Specdb::CMs 1062369 Specdb::CMs 1062371 Specdb::CMs 1062373 Specdb::CMs 1062375 Specdb::CMs 1062377 Specdb::CMs 1062379 Specdb::CMs 1062380 Specdb::CMs 1062382 Specdb::MsMs 300922 Specdb::MsMs 300923 Specdb::MsMs 300924 Specdb::MsMs 343309 Specdb::MsMs 343310 Specdb::MsMs 343311 Specdb::MsMs 2307192 Specdb::MsMs 2307193 Specdb::MsMs 2307194 Specdb::MsMs 2654492 Specdb::MsMs 2654493 Specdb::MsMs 2654494 HMDB0000430 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823