4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one

C13H24N2O10 — CID 57221272

IUPAC4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one
SMILESO=C(C(O)COCCOCCOCCO)N1C(=O)N(CO)C(O)C1O
InChIInChI=1S/C13H24N2O10/c16-1-2-23-3-4-24-5-6-25-7-9(18)10(19)15-12(21)11(20)14(8-17)13(15)22/h9,11-12,16-18,20-21H,1-8H2
InChIKeyQIJCETONDOTEGT-UHFFFAOYSA-N
MW368.34 g/mol
LogP-3.76
Rot. Bonds12

About 4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one

4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one (PubChem CID 57221272) has the molecular formula C13H24N2O10 and a molecular weight of 368.34 g/mol. Its IUPAC name is 4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one
PubChem CID57221272
Molecular FormulaC13H24N2O10
Molecular Weight368.34 g/mol
Exact Mass368.14
IUPAC Name4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one
SMILESO=C(C(O)COCCOCCOCCO)N1C(=O)N(CO)C(O)C1O
InChIInChI=1S/C13H24N2O10/c16-1-2-23-3-4-24-5-6-25-7-9(18)10(19)15-12(21)11(20)14(8-17)13(15)22/h9,11-12,16-18,20-21H,1-8H2
InChIKeyQIJCETONDOTEGT-UHFFFAOYSA-N
XLogP-3.76
TPSA169.46 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 5-3.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one?
The IUPAC name of 4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one (CID 57221272) is 4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one.
What is the SMILES notation for 4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one?
The canonical SMILES for 4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one is O=C(C(O)COCCOCCOCCO)N1C(=O)N(CO)C(O)C1O.
What is the InChIKey of 4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one?
The InChIKey is QIJCETONDOTEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O10/c16-1-2-23-3-4-24-5-6-25-7-9(18)10(19)15-12(21)11(20)14(8-17)13(15)22/h9,11-12,16-18,20-21H,1-8H2.
What are the key properties of 4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one?
4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one has a molecular weight of 368.34 g/mol, XLogP of -3.76, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1-[2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoyl]-3-(hydroxymethyl)imidazolidin-2-one is sourced from PubChem (CID 57221272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).