(3R)-Linalyl diphosphate
PubChem CID: 13856096
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| Compound Synonyms | (3R)-Linalyl diphosphate |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | UOJPTUWXHXNLDB-JTQLQIEISA-N |
| Rotatable Bond Count | 8.0 |
| Heavy Atom Count | 19.0 |
| Compound Name | (3R)-Linalyl diphosphate |
| Description | (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. |
| Exact Mass | 314.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.068 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 435.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 314.21 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(3R)-3,7-dimethylocta-1,6-dien-3-yl] phosphono hydrogen phosphate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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 |
| Smiles | CC(=CCC[C@](C)(C=C)OP(=O)(O)OP(=O)(O)O)C |
| Xlogp | 0.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H20O7P2 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all