Basic information
- CAS
7303-80-2- Standard SMILES
NC(=O)N[C@@H]1NC(=O)NC1=O- InChIKey
POJWUDADGALRAB-PVQJCKRUSA-N- Molecular formula
- C4H6N4O3
- Average molar mass
- 158.12 g/mol
- Monoisotopic mass
- 158.04399007
Overview
(R)-(-)-allantoin is an optically active form of allantoin having (R)-()-configuration. It has a role as a mouse metabolite. It is an enantiomer of a (S)-(+)-allantoin.
Names & identifiers
- Preferred name
- Allantoin, (R)-
- IUPAC
- [(4R)-2,5-dioxoimidazolidin-4-yl]urea
- English name
- (R)-(-)-allantoin
- Molecular formula
- C4H6N4O3
- Molecular weight
- 158.12
Names & synonyms
Allantoin, (-)-(-)-AllantoinAllantoin, (R)-(-)-J120C6NTXHAllantoin, (R)-[(4R)-2,5-dioxoimidazolidin-4-yl]ureaUrea, N-((4R)-2,5-dioxo-4-imidazolidinyl)-DTXSID30904502Urea, N-[(4R)-2,5-dioxo-4-imidazolidinyl]-((4R)-2,5-dioxoimidazolidin-4-yl)ureaScar Treatment BalmRefChem:1076348
Show more names
1-(2,5-Dioxo-4-imidazolidinyl)ure
DTXCID8013336507303-80-2(R)-Allantoin(R)-(-)-allantoin(R)-1-(2,5-Dioxoimidazolidin-4-yl)ureaN-[(4R)-2,5-dioxoimidazolidin-4-yl]ureaR-allantoin(R)(-)-Allantoin
Database identifiers
- CAS
7303-80-2- PubChem CID
- 439713
- DTXSID
DTXSID30904502- ChEBI
CHEBI:15677- UNII
- J120C6NTXH
- Nikkaji
- J732.397B
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- 8.3 · 8.30±0.10(Predicted)
- FDA UNII
- 120 C6NTXH · J120C6NTXH
Chemistry & industry
Applications
UsesAllantoin, (-)- is a natural product that can be isolated from animals, plants and bacteria[1].
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: (R)-(-)-allantoin is an optically active form of allantoin having (R)-(-)-configuration. It has a role as a mouse metabolite. It is an enantiomer of a (S)-(+)-allantoin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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