(1R,2S)-1-(7,8-dihydropteridin-6-yl)propane-1,2-diol
PubChem CID: 441045
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| Topological Polar Surface Area | 90.6 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | BQADMILWYUBNTA-XNCJUZBTSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 7-Hydroxy-4'-methoxyisoflavone 7-O-(2'',6''-diacetylglucoside) |
| Heavy Atom Count | 15.0 |
| Compound Name | (1R,2S)-1-(7,8-dihydropteridin-6-yl)propane-1,2-diol |
| Description | 2'',6''-o-diacetyloninin belongs to pteridines and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. 2'',6''-o-diacetyloninin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2'',6''-o-diacetyloninin can be found in soy bean, which makes 2'',6''-o-diacetyloninin a potential biomarker for the consumption of this food product. |
| Exact Mass | 208.096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.096 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 208.22 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2S)-1-(7,8-dihydropteridin-6-yl)propane-1,2-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C9H12N4O2/c1-5(14)8(15)6-3-11-9-7(13-6)2-10-4-12-9/h2,4-5,8,14-15H,3H2,1H3,(H,10,11,12)/t5-,8-/m0/s1 |
| Smiles | C[C@@H]([C@@H](C1=NC2=CN=CN=C2NC1)O)O |
| Xlogp | -0.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C9H12N4O2 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all