1.0 2010-04-08 22:04:58 UTC 2025-11-18 22:31:24 UTC FDB001458 (3R)-Linalyl diphosphate (3r)-linalyl diphosphate is a member of the class of compounds known as isoprenoid phosphates. Isoprenoid phosphates are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit (3r)-linalyl diphosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). (3r)-linalyl diphosphate can be found in common sage, which makes (3r)-linalyl diphosphate a potential biomarker for the consumption of this food product. C10H20O7P2 314.2091 314.068426018 [({[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid {[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid 97170-26-8 CC(C)=CCC[C@@](C)(OP(O)(=O)OP(O)(O)=O)C=C InChI=1S/C10H20O7P2/c1-5-10(4,8-6-7-9(2)3)16-19(14,15)17-18(11,12)13/h5,7H,1,6,8H2,2-4H3,(H,14,15)(H2,11,12,13)/t10-/m0/s1 UOJPTUWXHXNLDB-JTQLQIEISA-N belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit. Isoprenoid phosphates Organic compounds Lipids and lipid-like molecules Prenol lipids Isoprenoid phosphates Aliphatic acyclic compounds Acyclic monoterpenoids Hydrocarbon derivatives Monoalkyl phosphates Organic oxides Organic pyrophosphates Organooxygen compounds Acyclic monoterpenoid Aliphatic acyclic compound Alkyl phosphate Hydrocarbon derivative Isoprenoid phosphate Monoalkyl phosphate Monoterpenoid Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organooxygen compound Phosphoric acid ester logp 1.48 ALOGPS logs -2.35 ALOGPS solubility 1.41e+00 g/l ALOGPS logp 2.1 ChemAxon pka_strongest_acidic 1.75 ChemAxon iupac [({[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid ChemAxon average_mass 314.2091 ChemAxon mono_mass 314.068426018 ChemAxon smiles CC(C)=CCC[C@@](C)(OP(O)(=O)OP(O)(O)=O)C=C ChemAxon formula C10H20O7P2 ChemAxon inchi InChI=1S/C10H20O7P2/c1-5-10(4,8-6-7-9(2)3)16-19(14,15)17-18(11,12)13/h5,7H,1,6,8H2,2-4H3,(H,14,15)(H2,11,12,13)/t10-/m0/s1 ChemAxon inchikey UOJPTUWXHXNLDB-JTQLQIEISA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 71.95 ChemAxon polarizability 27.94 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74910 Specdb::MsMs 74911 Specdb::MsMs 74912 Specdb::MsMs 134430 Specdb::MsMs 134431 Specdb::MsMs 134432 Specdb::MsMs 3597439 Specdb::MsMs 3597440 Specdb::MsMs 3597441 Specdb::MsMs 3597442 Specdb::MsMs 3597443 Specdb::MsMs 3597444 Common sage Type 1 specific Salvia officinalis 38868