Pyridoxine 5'-phosphate(2-)
PubChem CID: 24794348
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| Compound Synonyms | pyridoxine 5'-phosphate(2-), [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl phosphate, CHEBI:58589, Q27125898 |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl phosphate |
| Prediction Hob | 0.0 |
| Xlogp | -2.0 |
| Molecular Formula | C8H10NO6P-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHOMFKWHIQZTHY-UHFFFAOYSA-L |
| Fcsp3 | 0.375 |
| Logs | -0.713 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.619 |
| Compound Name | Pyridoxine 5'-phosphate(2-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 247.025 |
| Formal Charge | -2.0 |
| Monoisotopic Mass | 247.025 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 247.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2076865999999994 |
| Inchi | InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)/p-2 |
| Smiles | CC1=NC=C(C(=C1O)CO)COP(=O)([O-])[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients