N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide

C20H39N3O9 — CID 146589143

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

N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide (PubChem CID 146589143) has the molecular formula C20H39N3O9 and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide.

Molecular Properties

• Compound Name: N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide
• PubChem CID: 146589143
• Molecular Formula: C20H39N3O9
• Molecular Weight: 465.54 g/mol
• Exact Mass: 465.27
• IUPAC Name: N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide
• SMILES: CC(=O)N[C@H]1[C@H](OCCCCCNC(=O)CCOCCOCCN)O[C@H](CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C20H39N3O9/c1-14(25)23-17-19(28)18(27)15(13-24)32-20(17)31-8-4-2-3-7-22-16(26)5-9-29-11-12-30-10-6-21/h15,17-20,24,27-28H,2-13,21H2,1H3,(H,22,26)(H,23,25)/t15-,17-,18+,19-,20-/m1/s1
• InChIKey: VNTQEHYFQWWJFH-XIKSMUEASA-N
• XLogP: -2.38
• TPSA: 181.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.54
LogP ≤ 5	-2.38
H-Bond Donors ≤ 5	6
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 N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide?

The IUPAC name of N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide (CID 146589143) is N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide.

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

The canonical SMILES for N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide is CC(=O)N[C@H]1[C@H](OCCCCCNC(=O)CCOCCOCCN)O[C@H](CO)[C@H](O)[C@@H]1O.

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

The InChIKey is VNTQEHYFQWWJFH-XIKSMUEASA-N. The full InChI is InChI=1S/C20H39N3O9/c1-14(25)23-17-19(28)18(27)15(13-24)32-20(17)31-8-4-2-3-7-22-16(26)5-9-29-11-12-30-10-6-21/h15,17-20,24,27-28H,2-13,21H2,1H3,(H,22,26)(H,23,25)/t15-,17-,18+,19-,20-/m1/s1.

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

N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide has a molecular weight of 465.54 g/mol, XLogP of -2.38, 17 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-3-[2-(2-aminoethoxy)ethoxy]propanamide is sourced from PubChem (CID 146589143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).