1.0 2016-09-30 23:20:35 UTC 2020-04-22 15:16:59 UTC BMDB0006226 BMDB06226 24R,25-Dihydroxyvitamin D3 Secalciferol (24R)-24,25-Dihydroxyvitamin D3 (24R)-Hydroxycalcidiol 24(R),25-Dihydroxycholecalciferol K-DR Osteo D 24,25 Dihydroxyvitamin D 3 24,25-Dihydroxyvitamin D 3 24R,25-Dihydroxycholecalciferol 24,25-Dihydroxyvitamin D3 24,25 Dihydroxyvitamin D3 24,25-Dihydroxycholecalciferol 24,25-Dihydroxyvitamin D 3, (3beta,5Z,7E,24R)-isomer Dihydroxyvitamin D3, 24,25 24,25 Dihydroxycholecalciferol 24R,25 Dihydroxycholecalciferol C27H44O3 416.6365 416.329045274 (3R,6R)-6-[(1R,4E,7aR)-4-{2-[(1Z,5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol 24R,25-dihydroxyvitamin D3 55721-11-4 C[C@H](CC[C@@H](O)C(O)(C)C)[C@H]1CCC2([H])\C(CCC[C@]12C)=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-AOWQBJNISA-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. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives Vitamin D and derivatives 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 Aliphatic homopolycyclic compounds Solid logp 5.47 ALOGPS logs -4.69 ALOGPS logp 4.58 ChemAxon pka_strongest_acidic 13.85 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (3R,6R)-6-[(1R,4E,7aR)-4-{2-[(1Z,5S)-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 C[C@H](CC[C@@H](O)C(O)(C)C)[C@H]1CCC2([H])\C(CCC[C@]12C)=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-AOWQBJNISA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 126.42 ChemAxon polarizability 50.5 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 16436 Specdb::CMs 38972 Specdb::MsMs 302326 Specdb::MsMs 302327 Specdb::MsMs 302328 Specdb::MsMs 345028 Specdb::MsMs 345029 Specdb::MsMs 345030 FDB023846 53477805 2289319 CPD-709 Seki, Masao; Koizumi, Naoyuki; Morisaki, Masuo; Ikekawa, Nobuo. Synthesis of active forms of vitamin D. VI. Synthesis of (24R)- and (24S)-24,25-dihydroxyvitamin D3. Tetrahedron Letters (1975), (1), 15-18.