benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate

C25H40N2O11 — CID 166996595

About benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate

benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 166996595) has the molecular formula C25H40N2O11 and a molecular weight of 544.60 g/mol. Its IUPAC name is benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 166996595
• Molecular Formula: C25H40N2O11
• Molecular Weight: 544.60 g/mol
• Exact Mass: 544.26
• IUPAC Name: benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(=O)N[C@H]1C(OCCOCCOCCOCCNC(=O)OCc2ccccc2)O[C@H](CCO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C25H40N2O11/c1-18(29)27-21-23(31)22(30)20(7-9-28)38-24(21)36-16-15-35-14-13-34-12-11-33-10-8-26-25(32)37-17-19-5-3-2-4-6-19/h2-6,20-24,28,30-31H,7-17H2,1H3,(H,26,32)(H,27,29)/t20-,21-,22+,23-,24?/m1/s1
• InChIKey: FIGKYALEIUUSPA-MLYSRARTSA-N
• XLogP: -0.69
• TPSA: 174.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.60
LogP ≤ 5	-0.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 166996595) is benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate.

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

The canonical SMILES for benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(=O)N[C@H]1C(OCCOCCOCCOCCNC(=O)OCc2ccccc2)O[C@H](CCO)[C@H](O)[C@@H]1O.

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

The InChIKey is FIGKYALEIUUSPA-MLYSRARTSA-N. The full InChI is InChI=1S/C25H40N2O11/c1-18(29)27-21-23(31)22(30)20(7-9-28)38-24(21)36-16-15-35-14-13-34-12-11-33-10-8-26-25(32)37-17-19-5-3-2-4-6-19/h2-6,20-24,28,30-31H,7-17H2,1H3,(H,26,32)(H,27,29)/t20-,21-,22+,23-,24?/m1/s1.

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

benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 544.60 g/mol, XLogP of -0.69, 18 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[2-[2-[2-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(2-hydroxyethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 166996595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).