1.0 2010-04-08 22:14:08 UTC 2019-11-26 03:17:06 UTC FDB019106 1,4-Dideoxy-1,4-imino-D-ribitol Alkaloid from roots of Morus alba (white mulberry). 1,4-Dideoxy-1,4-imino-D-ribitol is found in wax apple and fruits. (+)-1,4-Dideoxy-1,4-imino-D-ribitol 1,4-Dideoxy-1,4-imino-D-ribitol 2-(Hydroxymethyl)-(2R-(2a,3b,4b))-3,4-pyrrolidinediol 2-(Hydroxymethyl)-(2R,3R,4S)-3,4-pyrrolidinediol 2-(Hydroxymethyl)-[2R-(2a,3b,4b)]-3,4-pyrrolidinediol 2-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R-(2a,3b,4b))- 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)- 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, [2R-(2a,3b,4b)]- DRIB Iminoribitol IMR C5H11NO3 133.1457 133.073893223 2-(hydroxymethyl)pyrrolidine-3,4-diol 2-(hydroxymethyl)pyrrolidine-3,4-diol 105990-41-8 OCC1NCC(O)C1O InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2 OQEBIHBLFRADNM-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. Pyrrolidines Organic compounds Organoheterocyclic compounds Pyrrolidines Aliphatic heteromonocyclic compounds 1,2-aminoalcohols Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Secondary alcohols 1,2-aminoalcohol Alcohol Aliphatic heteromonocyclic compound Amine Azacycle Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrrolidine Secondary alcohol Secondary aliphatic amine Secondary amine logp -1.83 ALOGPS logs 0.69 ALOGPS solubility 6.59e+02 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 13.32 ChemAxon pka_strongest_basic 9.36 ChemAxon iupac 2-(hydroxymethyl)pyrrolidine-3,4-diol ChemAxon average_mass 133.1457 ChemAxon mono_mass 133.073893223 ChemAxon smiles OCC1NCC(O)C1O ChemAxon formula C5H11NO3 ChemAxon inchi InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2 ChemAxon inchikey OQEBIHBLFRADNM-UHFFFAOYSA-N ChemAxon polar_surface_area 72.72 ChemAxon refractivity 30.61 ChemAxon polarizability 13.03 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8885 Specdb::MsMs 8886 Specdb::MsMs 8887 Specdb::MsMs 15557 Specdb::MsMs 15558 Specdb::MsMs 15559 Specdb::MsMs 2714020 Specdb::MsMs 2714021 Specdb::MsMs 2714022 Specdb::MsMs 2965251 Specdb::MsMs 2965252 Specdb::MsMs 2965253 Specdb::CMs 20517 Specdb::CMs 46433 Specdb::CMs 124909 Specdb::CMs 124913 Specdb::CMs 162172 Specdb::NmrOneD 33462 Specdb::NmrOneD 33463 Specdb::NmrOneD 33464 Specdb::NmrOneD 33465 Specdb::NmrOneD 33466 Specdb::NmrOneD 33467 Specdb::NmrOneD 33468 Specdb::NmrOneD 33469 Specdb::NmrOneD 33470 Specdb::NmrOneD 33471 Specdb::NmrOneD 33472 Specdb::NmrOneD 33473 Specdb::NmrOneD 33474 Specdb::NmrOneD 33475 Specdb::NmrOneD 33476 Specdb::NmrOneD 33477 Specdb::NmrOneD 33478 Specdb::NmrOneD 33479 Specdb::NmrOneD 33480 Specdb::NmrOneD 33481 HMDB39499 #<Reference:0x000055ce30895ce8> Fruits Unknown generic Wax apple Type 1 specific Eugenia javanica 119950