(5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione

C13H16N2O6 — CID 10469819

IUPAC(5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N1c1ccccc1
InChIInChI=1S/C13H16N2O6/c16-6-8(17)10(18)11(19)9-12(20)15(13(21)14-9)7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,21)/t8-,9-,10-,11-/m1/s1
InChIKeyCZBMKQMITMMQIP-GWOFURMSSA-N
MW296.28 g/mol
LogP-1.81
Rot. Bonds5

About (5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione

(5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione (PubChem CID 10469819) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is (5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione
PubChem CID10469819
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name(5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N1c1ccccc1
InChIInChI=1S/C13H16N2O6/c16-6-8(17)10(18)11(19)9-12(20)15(13(21)14-9)7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,21)/t8-,9-,10-,11-/m1/s1
InChIKeyCZBMKQMITMMQIP-GWOFURMSSA-N
XLogP-1.81
TPSA130.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-1.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione (CID 10469819) is (5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione is O=C1N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N1c1ccccc1.
What is the InChIKey of (5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione?
The InChIKey is CZBMKQMITMMQIP-GWOFURMSSA-N. The full InChI is InChI=1S/C13H16N2O6/c16-6-8(17)10(18)11(19)9-12(20)15(13(21)14-9)7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,21)/t8-,9-,10-,11-/m1/s1.
What are the key properties of (5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione?
(5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione has a molecular weight of 296.28 g/mol, XLogP of -1.81, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-phenyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10469819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).