(S)-(+)-allantoin
PubChem CID: 439714
Connections displayed (default: 10).
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| Compound Synonyms | (S)-(+)-allantoin, S-(+)-Allantoin, 3844-67-5, (+)-Allantoin, Allantoin, (+)-, Allantoin, S-(+)-, (S)-Allantoin, Allantoin S-(+)-form [MI], [(4S)-2,5-dioxoimidazolidin-4-yl]urea, UNII-XDK458E1J9, XDK458E1J9, CHEBI:15678, Urea, N-((4S)-2,5-dioxo-4-imidazolidinyl)-, Urea, N-[(4S)-2,5-dioxo-4-imidazolidinyl]-, N-((S)-2,5-dioxoimidazolidin-4-yl)urea, N-[(4S)-2,5-dioxoimidazolidin-4-yl]urea, 1-[(4s)-2,5-Dioxoimidazolidin-4-Yl]urea, S-allantoin, CAS-97-59-6, NCGC00016358-01, Allantoin, (S)-, (S)(+)-Allantoin, CHEMBL1230080, SCHEMBL12994447, DTXSID701278152, (S)-1-(2,5-Dioxoimidazolidin-4-yl)urea, N-[(4S)-2,5-Dioxo-4-imidazolidinyl]urea, C02350, Q27098185, 3AL |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P16473, Q13951, O94782, n.a., P0DTD1 |
| Iupac Name | [(4S)-2,5-dioxoimidazolidin-4-yl]urea |
| Prediction Hob | 0.0 |
| Target Id | NPT210 |
| Xlogp | -2.2 |
| Molecular Formula | C4H6N4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | POJWUDADGALRAB-SFOWXEAESA-N |
| Fcsp3 | 0.25 |
| Logs | -3.03 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.643 |
| Compound Name | (S)-(+)-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-/m0/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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Achyranthes Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Achyranthes Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dioscorea Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Dioscorea Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Indigofera Suffruticosa (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Swertia Calycina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all