1.0 2016-09-30 22:50:10 UTC 2020-06-04 20:24:16 UTC BMDB0002030 BMDB02030 Fructosamine 1-Amino-1-deoxy-D-fructose D-Isoglucosamine D Isoglucosamine Fructosamine C6H13NO5 179.1711 179.079372531 (2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol (2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol 4429-04-3 NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6-/m1/s1 IXZISFNWUWKBOM-ARQDHWQXSA-N belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Monosaccharides Hemiacetals Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Amine Hemiacetal Hydrocarbon derivative Monosaccharide Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary aliphatic amine Primary amine Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -2.71 ALOGPS logs 0.74 ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 10.71 ChemAxon pka_strongest_basic 8.17 ChemAxon iupac (2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol ChemAxon average_mass 179.1711 ChemAxon mono_mass 179.079372531 ChemAxon smiles NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C6H13NO5 ChemAxon inchi InChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6-/m1/s1 ChemAxon inchikey IXZISFNWUWKBOM-ARQDHWQXSA-N ChemAxon polar_surface_area 116.17 ChemAxon refractivity 38.02 ChemAxon polarizability 16.43 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 309259 Specdb::MsMs 309260 Specdb::MsMs 309261 Specdb::MsMs 353644 Specdb::MsMs 353645 Specdb::MsMs 353646 Specdb::MsMs 2358534 Specdb::MsMs 2358535 Specdb::MsMs 2358536 Specdb::MsMs 2603156 Specdb::MsMs 2603157 Specdb::MsMs 2603158 Specdb::MsIr 1544 Specdb::MsIr 1545 Specdb::MsIr 1546 Specdb::CMs 19459 Specdb::CMs 38233 Specdb::CMs 146832 Specdb::NmrOneD 10042 Specdb::NmrOneD 10043 Specdb::NmrOneD 10044 Specdb::NmrOneD 10045 Specdb::NmrOneD 10046 Specdb::NmrOneD 10047 Specdb::NmrOneD 10048 Specdb::NmrOneD 10049 Specdb::NmrOneD 10050 Specdb::NmrOneD 10051 Specdb::NmrOneD 10052 Specdb::NmrOneD 10053 Specdb::NmrOneD 10054 Specdb::NmrOneD 10055 Specdb::NmrOneD 10056 Specdb::NmrOneD 10057 Specdb::NmrOneD 10058 Specdb::NmrOneD 10059 Specdb::NmrOneD 10060 Specdb::NmrOneD 10061 Blood 210.10 +/- 4.53 uM Detected by Spectrometry (Autoanalyzer/BT3000 Plus) Abdullah BASOGLU, Nuri BASPINAR, Alparslan COSKUN. NMR-based metabolomic evaluation in dairy cows with displaced abomasum. Turk J Vet Anim Sci (2014) 38(3):325-330 FDB022807 19291 20484 24103 Fructosamine Liu, Gui-Rong; Qiu, Ye; Yang, Qun-Shui. Synthesis of fructosamine and its application in cigarettes. Yancao Keji (2006), (8), 33-34, 37.