N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide

C29H55N3O16 — CID 130361641

About N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide

N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide (PubChem CID 130361641) has the molecular formula C29H55N3O16 and a molecular weight of 701.76 g/mol. Its IUPAC name is N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide
• PubChem CID: 130361641
• Molecular Formula: C29H55N3O16
• Molecular Weight: 701.76 g/mol
• Exact Mass: 701.36
• IUPAC Name: N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide
• SMILES: CC(=O)NC1CC(O)[C@@H](O)C(CO)O[C@H]1OCCOCCOCCNCCOCCOCCO[C@@H]1OC(CO)[C@H](O)C(O)C1NC(C)=O
• InChI: InChI=1S/C29H55N3O16/c1-18(35)31-20-15-21(37)25(38)22(16-33)47-28(20)45-13-11-43-9-7-41-5-3-30-4-6-42-8-10-44-12-14-46-29-24(32-19(2)36)27(40)26(39)23(17-34)48-29/h20-30,33-34,37-40H,3-17H2,1-2H3,(H,31,35)(H,32,36)/t20?,21?,22?,23?,24?,25-,26+,27?,28-,29-/m1/s1
• InChIKey: RSXWMSPZCSKKCT-TVZWQLFMSA-N
• XLogP: -5.05
• TPSA: 265.45 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	701.76
LogP ≤ 5	-5.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide?

The IUPAC name of N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide (CID 130361641) is N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide?

The canonical SMILES for N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide is CC(=O)NC1CC(O)[C@@H](O)C(CO)O[C@H]1OCCOCCOCCNCCOCCOCCO[C@@H]1OC(CO)[C@H](O)C(O)C1NC(C)=O.

What is the InChIKey of N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide?

The InChIKey is RSXWMSPZCSKKCT-TVZWQLFMSA-N. The full InChI is InChI=1S/C29H55N3O16/c1-18(35)31-20-15-21(37)25(38)22(16-33)47-28(20)45-13-11-43-9-7-41-5-3-30-4-6-42-8-10-44-12-14-46-29-24(32-19(2)36)27(40)26(39)23(17-34)48-29/h20-30,33-34,37-40H,3-17H2,1-2H3,(H,31,35)(H,32,36)/t20?,21?,22?,23?,24?,25-,26+,27?,28-,29-/m1/s1.

What are the key properties of N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide?

N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide has a molecular weight of 701.76 g/mol, XLogP of -5.05, 24 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,6R)-2-[2-[2-[2-[2-[2-[2-[(2R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-5,6-dihydroxy-7-(hydroxymethyl)oxepan-3-yl]acetamide is sourced from PubChem (CID 130361641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).