(S)-(+)-allantoin
Basic information
- CAS
3844-67-5- Standard SMILES
NC(=O)N[C@H]1NC(=O)NC1=O- InChIKey
POJWUDADGALRAB-SFOWXEAESA-N- Molecular formula
- C4H6N4O3
- Average molar mass
- 158.12 g/mol
- Monoisotopic mass
- 158.04399007
Overview
(S)-(+)-allantoin is an optically active form of allantoin having (S)-(+)-configuration. It has a role as a mouse metabolite. It is an enantiomer of a (R)-(-)-allantoin.
Names & identifiers
- Preferred name
- (S)-(+)-allantoin
- IUPAC
- [(4S)-2,5-dioxoimidazolidin-4-yl]urea
Names & synonyms
(S)-(+)-allantoin(S)(+)-AllantoinN-[(4S)-2,5-dioxoimidazolidin-4-yl]ureaCHEBI:15678N-((4S)-2,5-dioxoimidazolidin-4-yl)ureaRefChem:1051132N-((4S)-2,5-dihydroxy-4H-imidazol-4-yl)carbamimidic acid3844-67-5S-(+)-Allantoin(+)-AllantoinAllantoin, (+)-(S)-Allantoin
Show more names
Allantoin, S-(+)-[(4S)-2,5-dioxoimidazolidin-4-yl]ureaAllantoin S-(+)-form [MI]UNII-XDK458E1J9XDK458E1J9(S)-1-(2,5-Dioxoimidazolidin-4-yl)ureaUrea, N-((4S)-2,5-dioxo-4-imidazolidinyl)-Urea, N-[(4S)-2,5-dioxo-4-imidazolidinyl]-
Database identifiers
- CAS
3844-67-5- PubChem CID
- 439714
- DTXSID
DTXSID701278152- ChEMBL
CHEMBL1230080- ChEBI
CHEBI:15678- UNII
- XDK458E1J9
- Nikkaji
- J732.396D
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
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Related reactions
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Compound notes
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