N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

C18H33NO13 — CID 11113454

About N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 11113454) has the molecular formula C18H33NO13 and a molecular weight of 471.46 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• PubChem CID: 11113454
• Molecular Formula: C18H33NO13
• Molecular Weight: 471.46 g/mol
• Exact Mass: 471.20
• IUPAC Name: N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@@H](OCCOCCO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
• InChI: InChI=1S/C18H33NO13/c1-8(23)19-11-13(25)16(10(7-22)31-17(11)29-5-4-28-3-2-20)32-18-15(27)14(26)12(24)9(6-21)30-18/h9-18,20-22,24-27H,2-7H2,1H3,(H,19,23)/t9-,10-,11-,12+,13-,14+,15-,16-,17+,18+/m1/s1
• InChIKey: BKVNXZCBUMFFLO-OTAZAQKZSA-N
• XLogP: -5.22
• TPSA: 216.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	471.46
LogP ≤ 5	-5.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?

The IUPAC name of N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 11113454) is N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?

The canonical SMILES for N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)N[C@H]1[C@@H](OCCOCCO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O.

What is the InChIKey of N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?

The InChIKey is BKVNXZCBUMFFLO-OTAZAQKZSA-N. The full InChI is InChI=1S/C18H33NO13/c1-8(23)19-11-13(25)16(10(7-22)31-17(11)29-5-4-28-3-2-20)32-18-15(27)14(26)12(24)9(6-21)30-18/h9-18,20-22,24-27H,2-7H2,1H3,(H,19,23)/t9-,10-,11-,12+,13-,14+,15-,16-,17+,18+/m1/s1.

What are the key properties of N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide?

N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 471.46 g/mol, XLogP of -5.22, 11 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R,4R,5S,6R)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 11113454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).