2.0 2012-05-31 14:26:57 -0600 2015-06-03 17:19:17 -0600 ECMDB20091 M2MDB000939 4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one 4-hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one belongs to the class of Aromatic Homomonocyclic Compounds. These are aromatic compounds containig only one ring, which is homocyclic. (inferred from compound structure) 4-hydroxy-5-phenyl-1,3-oxazinan-2-one C10H11NO3 193.1992 193.073893223 5-phenyl-5,6-dihydro-4H-1,3-oxazine-2,4-diol 5-phenyl-5,6-dihydro-4H-1,3-oxazine-2,4-diol OC1N=C(O)OCC1C1=CC=CC=C1 InChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13) XZZMJRBYVRSAOS-UHFFFAOYSA-N Outer membrane Inner membrane logp 0.40 ALOGPS logs -2.03 ALOGPS solubility 1.81e+00 g/l ALOGPS logp 1.84 ChemAxon pka_strongest_acidic 7.92 ChemAxon pka_strongest_basic -1.8 ChemAxon iupac 5-phenyl-5,6-dihydro-4H-1,3-oxazine-2,4-diol ChemAxon average_mass 193.1992 ChemAxon mono_mass 193.073893223 ChemAxon smiles OC1N=C(O)OCC1C1=CC=CC=C1 ChemAxon formula C10H11NO3 ChemAxon inchi InChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13) ChemAxon inchikey XZZMJRBYVRSAOS-UHFFFAOYSA-N ChemAxon polar_surface_area 62.05 ChemAxon refractivity 50.01 ChemAxon polarizability 19.19 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 35762 Specdb::CMs 48173 Specdb::CMs 134996 Specdb::CMs 142730 Specdb::NmrOneD 249588 Specdb::NmrOneD 249589 Specdb::NmrOneD 249590 Specdb::NmrOneD 249591 Specdb::NmrOneD 249592 Specdb::NmrOneD 249593 Specdb::NmrOneD 249594 Specdb::NmrOneD 249595 Specdb::NmrOneD 249596 Specdb::NmrOneD 249597 Specdb::NmrOneD 249598 Specdb::NmrOneD 249599 Specdb::NmrOneD 249600 Specdb::NmrOneD 249601 Specdb::NmrOneD 249602 Specdb::NmrOneD 249603 Specdb::NmrOneD 249604 Specdb::NmrOneD 249605 Specdb::NmrOneD 249606 Specdb::NmrOneD 249607 Specdb::MsMs 25862 Specdb::MsMs 25863 Specdb::MsMs 25864 Specdb::MsMs 32420 Specdb::MsMs 32421 Specdb::MsMs 32422 21350392 19250427 C16595 Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 S-(hydroxymethyl)glutathione dehydrogenase P25437 FRMA_ECOLI frmA http://ecmdb.ca/proteins/P25437.xml Alcohol dehydrogenase, propanol-preferring P39451 ADHP_ECOLI adhP http://ecmdb.ca/proteins/P39451.xml 4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one + NAD <> 5-Phenyl-1,3-oxazinane-2,4-dione + NADH + Hydrogen ion R08310