1.0 2010-04-08 22:15:15 UTC 2019-11-26 03:19:24 UTC FDB020765 2-Carboxyarabinitol 5-phosphate Isolated from the leaves of Phaseolus vulgaris (kidney bean). 2-Carboxyarabinitol 5-phosphate is found in pulses, yellow wax bean, and green bean. 2-C-(Hydroxymethyl)-D-ribonic acid 5-O-phosphate 2-Carboxyarabinitol 5-phosphate C6H13O10P 276.1352 276.024633148 2,3,4-trihydroxy-2-(hydroxymethyl)-5-(phosphonooxy)pentanoic acid 2,3,4-trihydroxy-2-(hydroxymethyl)-5-(phosphonooxy)pentanoic acid 112160-91-5 OCC(O)(C(O)C(O)COP(O)(O)=O)C(O)=O InChI=1S/C6H13O10P/c7-2-6(12,5(10)11)4(9)3(8)1-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15) FCQQRWFREZXSMK-UHFFFAOYSA-N belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. Pentose 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 Monosaccharide phosphates 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 Pentose phosphate Phosphoric acid ester Polyol Primary alcohol Secondary alcohol Short-chain hydroxy acid Tertiary alcohol logp -2.44 ALOGPS logs -1.09 ALOGPS solubility 2.24e+01 g/l ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 1.48 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2,3,4-trihydroxy-2-(hydroxymethyl)-5-(phosphonooxy)pentanoic acid ChemAxon average_mass 276.1352 ChemAxon mono_mass 276.024633148 ChemAxon smiles OCC(O)(C(O)C(O)COP(O)(O)=O)C(O)=O ChemAxon formula C6H13O10P ChemAxon inchi InChI=1S/C6H13O10P/c7-2-6(12,5(10)11)4(9)3(8)1-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15) ChemAxon inchikey FCQQRWFREZXSMK-UHFFFAOYSA-N ChemAxon polar_surface_area 184.98 ChemAxon refractivity 49.44 ChemAxon polarizability 21.63 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 287899 Specdb::MsMs 287900 Specdb::MsMs 287901 Specdb::MsMs 326863 Specdb::MsMs 326864 Specdb::MsMs 326865 Specdb::MsMs 2269981 Specdb::MsMs 2269982 Specdb::MsMs 2269983 Specdb::MsMs 3072516 Specdb::MsMs 3072517 Specdb::MsMs 3072518 Specdb::CMs 9903 Specdb::CMs 47029 Specdb::CMs 132454 Specdb::CMs 140188 Specdb::NmrOneD 44122 Specdb::NmrOneD 44123 Specdb::NmrOneD 44124 Specdb::NmrOneD 44125 Specdb::NmrOneD 44126 Specdb::NmrOneD 44127 Specdb::NmrOneD 44128 Specdb::NmrOneD 44129 Specdb::NmrOneD 44130 Specdb::NmrOneD 44131 Specdb::NmrOneD 44132 Specdb::NmrOneD 44133 Specdb::NmrOneD 44134 Specdb::NmrOneD 44135 Specdb::NmrOneD 44136 Specdb::NmrOneD 44137 Specdb::NmrOneD 44138 Specdb::NmrOneD 44139 Specdb::NmrOneD 44140 Specdb::NmrOneD 44141 HMDB40924 #<Reference:0x000055ce31a40420> Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885