Pyridoxal 5'-phosphate(2-)
PubChem CID: 644168
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| Compound Synonyms | pyridoxal 5'-phosphate(2-), (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl phosphate, 124051-94-1, pyridoxal 5'-phosphate dianion, CHEBI:597326, Q27225781, 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate dianion, 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate(2-), 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, ion (2-) |
|---|---|
| Topological Polar Surface Area | 123.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl phosphate |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Molecular Formula | C8H8NO6P-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NGVDGCNFYWLIFO-UHFFFAOYSA-L |
| Fcsp3 | 0.25 |
| Logs | -1.977 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.207 |
| Compound Name | Pyridoxal 5'-phosphate(2-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 245.009 |
| Formal Charge | -2.0 |
| Monoisotopic Mass | 245.009 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 245.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6991873999999995 |
| Inchi | InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)/p-2 |
| Smiles | CC1=NC=C(C(=C1O)C=O)COP(=O)([O-])[O-] |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Saccharum Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients