2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate

C23H44N2O14S — CID 11664411

About 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate

2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate (PubChem CID 11664411) has the molecular formula C23H44N2O14S and a molecular weight of 604.67 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate
• PubChem CID: 11664411
• Molecular Formula: C23H44N2O14S
• Molecular Weight: 604.67 g/mol
• Exact Mass: 604.25
• IUPAC Name: 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate
• SMILES: O=C(CS)NCCOCCOCCOCCOCCOCCOC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C23H44N2O14S/c26-15-17-19(28)20(29)21(30)22(39-17)37-4-2-25-23(31)38-14-13-36-12-11-35-10-9-34-8-7-33-6-5-32-3-1-24-18(27)16-40/h17,19-22,26,28-30,40H,1-16H2,(H,24,27)(H,25,31)/t17-,19-,20+,21+,22+/m1/s1
• InChIKey: PECKMJCLBQDYSE-ICGSVKGVSA-N
• XLogP: -3.34
• TPSA: 212.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	604.67
LogP ≤ 5	-3.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate?

The IUPAC name of 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate (CID 11664411) is 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate is O=C(CS)NCCOCCOCCOCCOCCOCCOC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate?

The InChIKey is PECKMJCLBQDYSE-ICGSVKGVSA-N. The full InChI is InChI=1S/C23H44N2O14S/c26-15-17-19(28)20(29)21(30)22(39-17)37-4-2-25-23(31)38-14-13-36-12-11-35-10-9-34-8-7-33-6-5-32-3-1-24-18(27)16-40/h17,19-22,26,28-30,40H,1-16H2,(H,24,27)(H,25,31)/t17-,19-,20+,21+,22+/m1/s1.

What are the key properties of 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate?

2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate has a molecular weight of 604.67 g/mol, XLogP of -3.34, 24 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[(2-sulfanylacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]carbamate is sourced from PubChem (CID 11664411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).