1.0 2010-04-08 22:09:25 UTC 2019-11-26 03:04:27 UTC FDB010997 2R,3R-Butanediol Isolated from cocoa butter and roots of Ruta graveolens (rue) 2,3-Butanediol is one of the constitutional isomers of butanediol. The 2R,3R stereoisomer of 2,3-butanediol is produced by a variety of microorganisms, in a process known as butanediol fermentation. It is found in cocoa butter and in the roots of Ruta graveolens. (-)-(2R,3R)-Butanediol (-)-2,3-Butanediol (2R,3R)-(-)-2,3-Butanediol (2R,3R)-Butane-2,3-diol (R,R)-(-)-Butane-2,3-diol (R,R)-2,3-Butanediol (R,R)-2,3-Butylene glycol (R,R)-Butane-2,3-diol 2R,3R-Butanediol L-(-)-2,3-Butanediol levo-2,3-Butanediol C4H10O2 90.121 90.068079564 (2R,3R)-butane-2,3-diol (R,R)-butane-2,3-diol 24347-58-8 C[C@@H](O)[C@@H](C)O InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1 OWBTYPJTUOEWEK-QWWZWVQMSA-N belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. 1,2-diols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Secondary alcohols 1,2-diol Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol butane-2,3-diol Liquid logp -0.59 ALOGPS logs 0.83 ALOGPS solubility 6.03e+02 g/l ALOGPS melting_point Mp 19.7° logp -0.38 ChemAxon pka_strongest_acidic 14.22 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R)-butane-2,3-diol ChemAxon average_mass 90.121 ChemAxon mono_mass 90.068079564 ChemAxon smiles C[C@@H](O)[C@@H](C)O ChemAxon formula C4H10O2 ChemAxon inchi InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1 ChemAxon inchikey OWBTYPJTUOEWEK-QWWZWVQMSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 23.39 ChemAxon polarizability 9.82 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3239 Specdb::CMs 43050 Specdb::CMs 131905 Specdb::CMs 139639 Specdb::MsIr 5902 Specdb::MsIr 5903 Specdb::MsIr 5904 Specdb::MsMs 53400 Specdb::MsMs 53401 Specdb::MsMs 53402 Specdb::MsMs 150807 Specdb::MsMs 150808 Specdb::MsMs 150809 Specdb::MsMs 2846996 Specdb::MsMs 2846997 Specdb::MsMs 2846998 Specdb::MsMs 2862801 Specdb::MsMs 2862802 Specdb::MsMs 2862803 Specdb::NmrOneD 117398 Specdb::NmrOneD 117399 Specdb::NmrOneD 117400 Specdb::NmrOneD 117401 Specdb::NmrOneD 117402 Specdb::NmrOneD 117403 Specdb::NmrOneD 117404 Specdb::NmrOneD 117405 Specdb::NmrOneD 117406 Specdb::NmrOneD 117407 Specdb::NmrOneD 117408 Specdb::NmrOneD 117409 Specdb::NmrOneD 117410 Specdb::NmrOneD 117411 Specdb::NmrOneD 117412 Specdb::NmrOneD 117413 Specdb::NmrOneD 117414 Specdb::NmrOneD 117415 Specdb::NmrOneD 117416 Specdb::NmrOneD 117417 HMDB33007 16982 BU3 #<Reference:0x000055ce32b4bdf0> Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Herbs and Spices Unknown generic Ubiquitin-conjugating enzyme E2 D2 P62837 UBE2D2