1.0 2010-04-08 22:04:59 UTC 2025-11-18 22:31:31 UTC FDB001476 2-Carboxyarabinitol 1-phosphate 2-carboxyarabinitol 1-phosphate, also known as 1-pac, is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 2-carboxyarabinitol 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-carboxyarabinitol 1-phosphate can be found in a number of food items such as soy bean, potato, yellow wax bean, and common bean, which makes 2-carboxyarabinitol 1-phosphate a potential biomarker for the consumption of these food products. 2-Carboxy-D-arabinitol 1-phosphate C6H13O10P 276.1352 276.024633148 (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(phosphonooxy)methyl]pentanoic acid 1-pac 106777-19-9 OC[C@@H](O)[C@@H](O)[C@](O)(COP(O)(O)=O)C(O)=O InChI=1S/C6H13O10P/c7-1-3(8)4(9)6(12,5(10)11)2-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)/t3-,4-,6-/m1/s1 UJTMIRNFEXKGMS-ZMIZWQJLSA-N belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. Monosaccharide phosphates Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic acyclic compounds Alpha hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Organic oxides Polyols Primary alcohols Secondary alcohols Short-chain hydroxy acids and derivatives Tertiary alcohols Alcohol Aliphatic acyclic compound Alkyl phosphate Alpha-hydroxy acid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Hydroxy acid Monoalkyl phosphate Monocarboxylic acid or derivatives Monosaccharide phosphate Organic oxide Organic phosphoric acid derivative Phosphoric acid ester Polyol Primary alcohol Secondary alcohol Short-chain hydroxy acid Tertiary alcohol ribonic acid phosphate logp -2.38 ALOGPS logs -1.08 ALOGPS solubility 2.31e+01 g/l ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 1.37 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(phosphonooxy)methyl]pentanoic acid ChemAxon average_mass 276.1352 ChemAxon mono_mass 276.024633148 ChemAxon smiles OC[C@@H](O)[C@@H](O)[C@](O)(COP(O)(O)=O)C(O)=O ChemAxon formula C6H13O10P ChemAxon inchi InChI=1S/C6H13O10P/c7-1-3(8)4(9)6(12,5(10)11)2-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)/t3-,4-,6-/m1/s1 ChemAxon inchikey UJTMIRNFEXKGMS-ZMIZWQJLSA-N ChemAxon polar_surface_area 184.98 ChemAxon refractivity 49.44 ChemAxon polarizability 21.42 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 68967 Specdb::MsMs 68968 Specdb::MsMs 68969 Specdb::MsMs 127131 Specdb::MsMs 127132 Specdb::MsMs 127133 Specdb::MsMs 3597490 Specdb::MsMs 3597491 Specdb::MsMs 3597492 Specdb::MsMs 3598283 Specdb::MsMs 3598284 Specdb::MsMs 3598285 17541 Common bean Type 1 specific Phaseolus vulgaris 3885 Green bean Type 1 specific Phaseolus vulgaris 3885 Potato Type 1 specific Solanum tuberosum 4113 Soy bean Type 1 specific Glycine max 3847 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885