1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one

C15H30N4O8+2 — CID 57305917

IUPAC1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one
SMILESCOCCC[N+]1(C[N+]2(CCCOC)C(=O)NC(O)C2O)C(=O)NC(O)C1O
InChIInChI=1S/C15H28N4O8/c1-26-7-3-5-18(12(22)10(20)16-14(18)24)9-19(6-4-8-27-2)13(23)11(21)17-15(19)25/h10-13,20-23H,3-9H2,1-2H3/p+2
InChIKeyVESWFWOIKLSFNJ-UHFFFAOYSA-P
MW394.43 g/mol
LogP-2.63
Rot. Bonds10

About 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one

1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one (PubChem CID 57305917) has the molecular formula C15H30N4O8+2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one.

Molecular Properties

Compound Name1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one
PubChem CID57305917
Molecular FormulaC15H30N4O8+2
Molecular Weight394.43 g/mol
Exact Mass394.21
IUPAC Name1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one
SMILESCOCCC[N+]1(C[N+]2(CCCOC)C(=O)NC(O)C2O)C(=O)NC(O)C1O
InChIInChI=1S/C15H28N4O8/c1-26-7-3-5-18(12(22)10(20)16-14(18)24)9-19(6-4-8-27-2)13(23)11(21)17-15(19)25/h10-13,20-23H,3-9H2,1-2H3/p+2
InChIKeyVESWFWOIKLSFNJ-UHFFFAOYSA-P
XLogP-2.63
TPSA157.58 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 5-2.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one?
The IUPAC name of 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one (CID 57305917) is 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one.
What is the SMILES notation for 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one?
The canonical SMILES for 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one is COCCC[N+]1(C[N+]2(CCCOC)C(=O)NC(O)C2O)C(=O)NC(O)C1O.
What is the InChIKey of 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one?
The InChIKey is VESWFWOIKLSFNJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H28N4O8/c1-26-7-3-5-18(12(22)10(20)16-14(18)24)9-19(6-4-8-27-2)13(23)11(21)17-15(19)25/h10-13,20-23H,3-9H2,1-2H3/p+2.
What are the key properties of 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one?
1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one has a molecular weight of 394.43 g/mol, XLogP of -2.63, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,5-dihydroxy-1-(3-methoxypropyl)-2-oxoimidazolidin-1-ium-1-yl]methyl]-4,5-dihydroxy-1-(3-methoxypropyl)imidazolidin-1-ium-2-one is sourced from PubChem (CID 57305917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).