1-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID: 89495556
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL14853938 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | DRTQHJPVMGBUCF-DHRBYNEYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Compound Name | 1-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 244.07 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.07 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 370.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 244.2 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 1-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.4580350705882354 |
| Inchi | InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4?,6-,7-,8?/m1/s1 |
| Smiles | C1=CN(C(=O)NC1=O)C2[C@@H]([C@@H](C(O2)CO)O)O |
| Xlogp | -2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C9H12N2O6 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ophiopogon Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Pseudostellaria Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients