6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione
PubChem CID: 6325373
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| Compound Synonyms | 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione, 6-Hydroxymethyllumazine, 8CI, 6-(hydroxymethyl)-2,3,4,8-tetrahydropteridine-2,4-dione, 10129-99-4, 6-(hydroxymethyl)-1H-pteridine-2,4-dione, CHEBI:169125, DTXSID401260077 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Description | Isolated from leaves of spinach Spinacia oleracea. 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione is found in green vegetables and spinach. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 270.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(hydroxymethyl)-1H-pteridine-2,4-dione |
| Prediction Hob | 1.0 |
| Class | Pteridines and derivatives |
| Xlogp | -1.9 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C7H6N4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SQXCACKAQINDFU-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.93 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | -0.277 |
| Synonyms | 6-Hydroxymethyllumazine, 8CI, 6-Hydroxymethyllumazine, 8ci |
| Substituent Name | Pteridine, Hydroxypyrimidine, Pyrimidine, Pyrazine, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Aromatic alcohol, Primary alcohol, Organooxygen compound, Organonitrogen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.044 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.044 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 194.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -0.8259518285714285 |
| Inchi | InChI=1S/C7H6N4O3/c12-2-3-1-8-5-4(9-3)6(13)11-7(14)10-5/h1,12H,2H2,(H2,8,10,11,13,14) |
| Smiles | C1=C(N=C2C(=N1)NC(=O)NC2=O)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pteridines and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all