Allantoin, (-)-
PubChem CID: 439713
Connections displayed (default: 10).
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| Compound Synonyms | Allantoin, (-)-, (-)-Allantoin, 7303-80-2, (R)-(-)-allantoin, (R)-Allantoin, Allantoin, (R)-(-)-, J120C6NTXH, [(4R)-2,5-dioxoimidazolidin-4-yl]urea, Urea, N-((4R)-2,5-dioxo-4-imidazolidinyl)-, Urea, N-[(4R)-2,5-dioxo-4-imidazolidinyl]-, (R)-1-(2,5-Dioxoimidazolidin-4-yl)urea, N-[(4R)-2,5-dioxoimidazolidin-4-yl]urea, R-allantoin, Allantoin, (R)-, (R)(-)-Allantoin, starbld0034795, UNII-J120C6NTXH, SCHEMBL4364732, CHEBI:15677, DTXSID30904502, POJWUDADGALRAB-PVQJCKRUSA-N, AKOS040750332, NS00099171, C02348, Q27098183 |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(4R)-2,5-dioxoimidazolidin-4-yl]urea |
| Prediction Hob | 0.0 |
| Xlogp | -2.2 |
| Molecular Formula | C4H6N4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | POJWUDADGALRAB-PVQJCKRUSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.03 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.643 |
| Compound Name | Allantoin, (-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 158.044 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.044 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 158.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.19692539999999992 |
| Inchi | InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m1/s1 |
| Smiles | [C@@H]1(C(=O)NC(=O)N1)NC(=O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achyranthes Bidentata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Achyranthes Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Achyranthes Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Coleostephus Myconis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dahlia Pinnata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dioscorea Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Dioscorea Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Gynostemma Pentaphyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Synotis Alata (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients