1.0 2016-09-30 22:29:24 UTC 2020-04-22 15:03:11 UTC BMDB0000366 BMDB00366 2-Deoxyribonic acid 2-Deoxyribonate 2-Deoxy-D-ribonate 2-Deoxy-D-ribonic acid C5H10O5 150.1299 150.05282343 (3S,4R)-3,4,5-trihydroxypentanoic acid (3S,4R)-3,4,5-trihydroxypentanoic acid 29625-75-0 OC[C@@H](O)[C@@H](O)CC(O)=O InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m0/s1 VBUWJOHKCBQXNU-IUYQGCFVSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Primary alcohols Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Short-chain hydroxy acid Aliphatic acyclic compounds pentonic acid Solid logp -2.02 ALOGPS logs 0.53 ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 4.03 ChemAxon pka_strongest_basic -3 ChemAxon iupac (3S,4R)-3,4,5-trihydroxypentanoic acid ChemAxon average_mass 150.1299 ChemAxon mono_mass 150.05282343 ChemAxon smiles OC[C@@H](O)[C@@H](O)CC(O)=O ChemAxon formula C5H10O5 ChemAxon inchi InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m0/s1 ChemAxon inchikey VBUWJOHKCBQXNU-IUYQGCFVSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 30.97 ChemAxon polarizability 13.51 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 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::MsIr 454 Specdb::MsIr 455 Specdb::MsIr 456 Specdb::MsMs 292990 Specdb::MsMs 292991 Specdb::MsMs 292992 Specdb::MsMs 333340 Specdb::MsMs 333341 Specdb::MsMs 333342 Specdb::MsMs 2717472 Specdb::MsMs 2717473 Specdb::MsMs 2717474 Specdb::MsMs 2961900 Specdb::MsMs 2961901 Specdb::MsMs 2961902 Specdb::NmrOneD 6622 Specdb::NmrOneD 6623 Specdb::NmrOneD 6624 Specdb::NmrOneD 6625 Specdb::NmrOneD 6626 Specdb::NmrOneD 6627 Specdb::NmrOneD 6628 Specdb::NmrOneD 6629 Specdb::NmrOneD 6630 Specdb::NmrOneD 6631 Specdb::NmrOneD 6632 Specdb::NmrOneD 6633 Specdb::NmrOneD 6634 Specdb::NmrOneD 6635 Specdb::NmrOneD 6636 Specdb::NmrOneD 6637 Specdb::NmrOneD 6638 Specdb::NmrOneD 6639 Specdb::NmrOneD 6640 Specdb::NmrOneD 6641 Specdb::CMs 12243 Specdb::CMs 37469 Specdb::CMs 145909 Specdb::CMs 1059581 Specdb::CMs 1059583 Specdb::CMs 1059584 Specdb::CMs 1059586 Specdb::CMs 1059588 Specdb::CMs 1059590 Specdb::CMs 1059592 Specdb::CMs 1059593 Specdb::CMs 1059595 Specdb::CMs 1059597 Specdb::CMs 1059599 Specdb::CMs 1059600 Specdb::CMs 1059602 Specdb::CMs 1059604 Specdb::CMs 1059606 Specdb::CMs 1059608 Specdb::CMs 1059610 Specdb::CMs 1059612 Specdb::CMs 1059613 Specdb::CMs 1059615 Specdb::CMs 1059617 Specdb::CMs 1059618 FDB021985 9703151 11528367 86350 5355 Yang, Byung Yun; Montgomery, Rex. Alkaline degradation of fructofuranosides. Carbohydrate Research (1996), 280(1), 47-57.