(4-Amino-2-methylpyrimidin-5-yl)methanol
PubChem CID: 22290169
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| Compound Synonyms | SCHEMBL851327, CHEBI:230208, (4-amino-2-methylpyrimidin-5-yl)methanol, phosphono dihydrogen phosphate |
|---|---|
| Topological Polar Surface Area | 196.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | PCFPIDTUHTVMCO-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Compound Name | (4-Amino-2-methylpyrimidin-5-yl)methanol, phosphono dihydrogen phosphate |
| Description | 4-amino-5-hydroxymethyl-2-methylpyrimidine diphosphate is a member of the class of compounds known as organic pyrophosphates. Organic pyrophosphates are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. 4-amino-5-hydroxymethyl-2-methylpyrimidine diphosphate can be found in swede, which makes 4-amino-5-hydroxymethyl-2-methylpyrimidine diphosphate a potential biomarker for the consumption of this food product. |
| Exact Mass | 317.018 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 317.018 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 317.13 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 2.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-amino-2-methylpyrimidin-5-yl)methanol, phosphono dihydrogen phosphate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C6H9N3O.H4O7P2/c1-4-8-2-5(3-10)6(7)9-4, 1-8(2,3)7-9(4,5)6/h2,10H,3H2,1H3,(H2,7,8,9), (H2,1,2,3)(H2,4,5,6) |
| Smiles | CC1=NC=C(C(=N1)N)CO.OP(=O)(O)OP(=O)(O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H13N3O8P2 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Napus (Plant) Rel Props:Source_db:fooddb_chem_all