N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide

C33H60INO17 — CID 10418165

About N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide

N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide (PubChem CID 10418165) has the molecular formula C33H60INO17 and a molecular weight of 869.74 g/mol. Its IUPAC name is N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide.

Molecular Properties

• Compound Name: N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide
• PubChem CID: 10418165
• Molecular Formula: C33H60INO17
• Molecular Weight: 869.74 g/mol
• Exact Mass: 869.29
• IUPAC Name: N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide
• SMILES: CCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](COCCCCCNC(=O)CI)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
• InChI: InChI=1S/C33H60INO17/c1-2-3-4-5-6-10-13-47-32-29(45)30(24(40)20(50-32)17-48-31-27(43)25(41)22(38)18(15-36)49-31)52-33-28(44)26(42)23(39)19(51-33)16-46-12-9-7-8-11-35-21(37)14-34/h18-20,22-33,36,38-45H,2-17H2,1H3,(H,35,37)/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32-,33-/m1/s1
• InChIKey: ZMIKZYNTDUDWNT-NNJYZNQQSA-N
• XLogP: -2.44
• TPSA: 275.78 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.74
LogP ≤ 5	-2.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide?

The IUPAC name of N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide (CID 10418165) is N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide.

What is the SMILES notation for N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide?

The canonical SMILES for N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide is CCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](COCCCCCNC(=O)CI)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.

What is the InChIKey of N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide?

The InChIKey is ZMIKZYNTDUDWNT-NNJYZNQQSA-N. The full InChI is InChI=1S/C33H60INO17/c1-2-3-4-5-6-10-13-47-32-29(45)30(24(40)20(50-32)17-48-31-27(43)25(41)22(38)18(15-36)49-31)52-33-28(44)26(42)23(39)19(51-33)16-46-12-9-7-8-11-35-21(37)14-34/h18-20,22-33,36,38-45H,2-17H2,1H3,(H,35,37)/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32-,33-/m1/s1.

What are the key properties of N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide?

N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide has a molecular weight of 869.74 g/mol, XLogP of -2.44, 23 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-octoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]pentyl]-2-iodoacetamide is sourced from PubChem (CID 10418165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).