phosphono [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen phosphate
PubChem CID: 3037774
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 113.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | VZPAJODTZAAANV-KHQFGBGNSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | (+)-Bornyl pyrophosphate, (+)-bornyl-diphosphate |
| Heavy Atom Count | 19.0 |
| Compound Name | phosphono [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen phosphate |
| Description | (+)-bornyl diphosphate is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other (+)-bornyl diphosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). (+)-bornyl diphosphate can be found in common sage, which makes (+)-bornyl 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 | 470.0 |
| 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 | 3.0 |
| Iupac Name | phosphono [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen phosphate |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/t7-,8+,10-/m1/s1 |
| Smiles | C[C@]12CC[C@@H](C1(C)C)C[C@@H]2OP(=O)(O)OP(=O)(O)O |
| Xlogp | 0.3 |
| 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