1.0 2016-10-03 18:22:26 UTC 2020-04-22 15:45:49 UTC BMDB0011659 BMDB11659 2-Methylerythritol (2R,3S)-2-Methyl-1,2,3,4-butanetetrol 2-C-Methyl-D-erythritol 2-C-Methylerythritol 3-Methylerythritol [S-(R,S)]-2-Methyl-1,2,3,4-butanetetrol 3-C-Methylerythritol 2-Methylerythritol C5H12O4 136.1464 136.073558872 (3S)-2-methylbutane-1,2,3,4-tetrol (3S)-2-methylbutane-1,2,3,4-tetrol 93921-83-6 CC(O)(CO)[C@@H](O)CO InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m0/s1 HGVJFBSSLICXEM-CRCLSJGQSA-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 Polyols Primary alcohols Secondary alcohols Tertiary alcohols Alcohol Aliphatic acyclic compound Hydrocarbon derivative Polyol Primary alcohol Secondary alcohol Sugar alcohol Tertiary alcohol Aliphatic acyclic compounds tetritol Solid logp -1.84 ALOGPS logs 0.74 ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 12.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac (3S)-2-methylbutane-1,2,3,4-tetrol ChemAxon average_mass 136.1464 ChemAxon mono_mass 136.073558872 ChemAxon smiles CC(O)(CO)[C@@H](O)CO ChemAxon formula C5H12O4 ChemAxon inchi InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m0/s1 ChemAxon inchikey HGVJFBSSLICXEM-CRCLSJGQSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 31.12 ChemAxon polarizability 13.35 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 4 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::CMs 17578 Specdb::CMs 39749 Specdb::CMs 132890 Specdb::CMs 140624 Specdb::MsMs 304909 Specdb::MsMs 304910 Specdb::MsMs 304911 Specdb::MsMs 348238 Specdb::MsMs 348239 Specdb::MsMs 348240 Specdb::MsMs 2665735 Specdb::MsMs 2665736 Specdb::MsMs 2665737 Specdb::MsMs 3012440 Specdb::MsMs 3012441 Specdb::MsMs 3012442 Specdb::NmrOneD 11302 Specdb::NmrOneD 11303 Specdb::NmrOneD 11304 Specdb::NmrOneD 11305 Specdb::NmrOneD 11306 Specdb::NmrOneD 11307 Specdb::NmrOneD 11308 Specdb::NmrOneD 11309 Specdb::NmrOneD 11310 Specdb::NmrOneD 11311 Specdb::NmrOneD 11312 Specdb::NmrOneD 11313 Specdb::NmrOneD 11314 Specdb::NmrOneD 11315 Specdb::NmrOneD 11316 Specdb::NmrOneD 11317 Specdb::NmrOneD 11318 Specdb::NmrOneD 11319 Specdb::NmrOneD 11320 Specdb::NmrOneD 11321 FDB028350 111356 86367 53481015 C00052127