(5-Formylfuran-3-yl)methyl phosphate
PubChem CID: 25201088
Connections displayed (default: 10).
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| Compound Synonyms | 4-(phosphooxymethyl)-2-furancarboxaldehyde(2-), (5-formylfuran-3-yl)methyl phosphate, 4-(hydroxymethyl)-2-furancarboxaldehyde phosphate, furfural phosphate, CHEBI:83407, (4-formyl-2-furyl)methyl phosphate, 4-(phosphonatooxymethyl)-2-furancarboxaldehyde, Q27156807 |
|---|---|
| Topological Polar Surface Area | 103.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-formylfuran-3-yl)methyl phosphate |
| Prediction Hob | 1.0 |
| Xlogp | -1.4 |
| Molecular Formula | C6H5O6P-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUMMAWMKFFMZAH-UHFFFAOYSA-L |
| Fcsp3 | 0.1666666666666666 |
| Logs | -0.232 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.228 |
| Compound Name | (5-Formylfuran-3-yl)methyl phosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 203.982 |
| Formal Charge | -2.0 |
| Monoisotopic Mass | 203.982 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 204.07 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3698741846153841 |
| Inchi | InChI=1S/C6H7O6P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1-3H,4H2,(H2,8,9,10)/p-2 |
| Smiles | C1=C(OC=C1COP(=O)([O-])[O-])C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Codium Fragile (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cornus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Funtumia Elastica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Holarrhena Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Trifolium Pratense (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients