N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide

C20H32N2O10 — CID 58409189

About N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide (PubChem CID 58409189) has the molecular formula C20H32N2O10 and a molecular weight of 460.48 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide
• PubChem CID: 58409189
• Molecular Formula: C20H32N2O10
• Molecular Weight: 460.48 g/mol
• Exact Mass: 460.21
• IUPAC Name: N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@H](OCCOCCNCCCC2=C(C)C(=O)OC2=O)O[C@H](CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C20H32N2O10/c1-11-13(19(28)32-18(11)27)4-3-5-21-6-7-29-8-9-30-20-15(22-12(2)24)17(26)16(25)14(10-23)31-20/h14-17,20-21,23,25-26H,3-10H2,1-2H3,(H,22,24)/t14-,15-,16+,17-,20-/m1/s1
• InChIKey: OZHVAXRXKMXGRE-ISIBIEBGSA-N
• XLogP: -2.27
• TPSA: 172.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.48
LogP ≤ 5	-2.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide?

The IUPAC name of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide (CID 58409189) is N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide?

The canonical SMILES for N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](OCCOCCNCCCC2=C(C)C(=O)OC2=O)O[C@H](CO)[C@H](O)[C@@H]1O.

What is the InChIKey of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide?

The InChIKey is OZHVAXRXKMXGRE-ISIBIEBGSA-N. The full InChI is InChI=1S/C20H32N2O10/c1-11-13(19(28)32-18(11)27)4-3-5-21-6-7-29-8-9-30-20-15(22-12(2)24)17(26)16(25)14(10-23)31-20/h14-17,20-21,23,25-26H,3-10H2,1-2H3,(H,22,24)/t14-,15-,16+,17-,20-/m1/s1.

What are the key properties of N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide?

N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide has a molecular weight of 460.48 g/mol, XLogP of -2.27, 13 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[3-(4-methyl-2,5-dioxofuran-3-yl)propylamino]ethoxy]ethoxy]oxan-3-yl]acetamide is sourced from PubChem (CID 58409189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).