2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide

C23H44N2O10 — CID 118408549

About 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide

2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide (PubChem CID 118408549) has the molecular formula C23H44N2O10 and a molecular weight of 508.61 g/mol. Its IUPAC name is 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide
• PubChem CID: 118408549
• Molecular Formula: C23H44N2O10
• Molecular Weight: 508.61 g/mol
• Exact Mass: 508.30
• IUPAC Name: 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide
• SMILES: CCCCCCCNC(=O)COCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
• InChI: InChI=1S/C23H44N2O10/c1-3-4-5-6-7-8-24-19(28)16-33-12-11-31-9-10-32-13-14-34-23-20(25-17(2)27)22(30)21(29)18(15-26)35-23/h18,20-23,26,29-30H,3-16H2,1-2H3,(H,24,28)(H,25,27)/t18-,20-,21+,22-,23-/m1/s1
• InChIKey: ZRPLJJCFAINEPY-DODNOZFWSA-N
• XLogP: -0.92
• TPSA: 165.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.61
LogP ≤ 5	-0.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide?

The IUPAC name of 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide (CID 118408549) is 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide.

What is the SMILES notation for 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide?

The canonical SMILES for 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide is CCCCCCCNC(=O)COCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O.

What is the InChIKey of 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide?

The InChIKey is ZRPLJJCFAINEPY-DODNOZFWSA-N. The full InChI is InChI=1S/C23H44N2O10/c1-3-4-5-6-7-8-24-19(28)16-33-12-11-31-9-10-32-13-14-34-23-20(25-17(2)27)22(30)21(29)18(15-26)35-23/h18,20-23,26,29-30H,3-16H2,1-2H3,(H,24,28)(H,25,27)/t18-,20-,21+,22-,23-/m1/s1.

What are the key properties of 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide?

2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide has a molecular weight of 508.61 g/mol, XLogP of -0.92, 20 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]-N-heptylacetamide is sourced from PubChem (CID 118408549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).