1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
PubChem CID: 270480
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| Compound Synonyms | 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one, 2(1H)-pyrimidinone, tetrahydro-4-hydroxy-1-beta-D-ribofuranosyl-, NSC112907, CHEMBL27798, SCHEMBL127270, H4 U, BCP31863, NSC741900, AKOS030254886, NSC-741900, NCI60_000289, THU, NSC 112907, NSC-112907, NSC112907, 3,4,5,6-Tetrahydrouridine |
|---|---|
| Topological Polar Surface Area | 122.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -2.4 |
| Molecular Formula | C9H16N2O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UCKYOOZPSJFJIZ-UHFFFAOYSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -0.583 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.864 |
| Compound Name | 1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.101 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 248.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.23344300000000018 |
| Inchi | InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16) |
| Smiles | C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all