Showing Metabocard for (S)-allantoin (BASm0000399)
| Common Name | (s)-allantoin |
|---|---|
| Description | true |
| Structure | |
| Molecular Formula | C4H6N4O3 |
| Average Mass | 158.11540 |
| Monoisotopic Mass | 158.04399 |
| IUPAC Name | (2,5-dioxoimidazolidin-4-yl)urea |
| Traditional Name | 2,5-dioxoimidazolidin-4-ylurea |
| CAS Registry Number | 97-59-6 |
| SMILES | NC(=O)N[C@H]1NC(=O)NC1=O |
| InChI Identifier | 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 |
| InChI Key | POJWUDADGALRAB-SFOWXEAESA-N |
| CHEBI ID | CHEBI:15678 |
| MiMeDB ID | MMDBc0029955 |
| State | Solid |
| Water Solubility | 4.73e+00 g/l |
| logP | -1.95 |
| logS | -1.52 |
| pKa (Strongest Acidic) | 8.93 |
| pKa (Strongest Basic) | -3.38 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 4 |
| Polar Surface Area | 113.32 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 32.02 m³·mol⁻¹ |
| Polarizability | 12.91 |