Vitamin B6
PubChem CID: 104817
Connections displayed (default: 10).
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| Compound Synonyms | 8059-24-3, (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate, Vitamin B 6, EINECS 232-503-8, vitamina B6, vitamine B6, vitamins B6, vitamin B6 vitamer, vitamin B6 vitamers, Vitamin B6,(S), VIT B6, CHEBI:27306, DTXSID501015372, AKOS015891944, NS00020888, A19429, 232-503-8 |
|---|---|
| Topological Polar Surface Area | 106.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C8H10NO5P-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBCOYOYDYNXAFA-UHFFFAOYSA-L |
| Fcsp3 | 0.375 |
| Logs | -0.366 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.463 |
| Compound Name | Vitamin B6 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 231.03 |
| Formal Charge | -2.0 |
| Monoisotopic Mass | 231.03 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 231.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9174927999999996 |
| Inchi | InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)/p-2 |
| Smiles | CC1=C(C(=NC=C1COP(=O)([O-])[O-])C)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 - 2. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients