N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide

C14H24INO11 — CID 89112026

About N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide

N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide (PubChem CID 89112026) has the molecular formula C14H24INO11 and a molecular weight of 509.25 g/mol. Its IUPAC name is N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide.

Molecular Properties

• Compound Name: N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide
• PubChem CID: 89112026
• Molecular Formula: C14H24INO11
• Molecular Weight: 509.25 g/mol
• Exact Mass: 509.04
• IUPAC Name: N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide
• SMILES: O=C(CI)N[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O)C2O)C(O)C1O
• InChI: InChI=1S/C14H24INO11/c15-1-6(19)16-13-10(23)9(22)12(5(3-18)25-13)27-14-11(24)8(21)7(20)4(2-17)26-14/h4-5,7-14,17-18,20-24H,1-3H2,(H,16,19)/t4?,5?,7-,8?,9?,10?,11?,12+,13+,14-/m0/s1
• InChIKey: OMMSPANYESMLDC-ZYJYUTKQSA-N
• XLogP: -4.84
• TPSA: 198.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	509.25
LogP ≤ 5	-4.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide (CID 89112026) is N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide.

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

The canonical SMILES for N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide is O=C(CI)N[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O)C2O)C(O)C1O.

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

The InChIKey is OMMSPANYESMLDC-ZYJYUTKQSA-N. The full InChI is InChI=1S/C14H24INO11/c15-1-6(19)16-13-10(23)9(22)12(5(3-18)25-13)27-14-11(24)8(21)7(20)4(2-17)26-14/h4-5,7-14,17-18,20-24H,1-3H2,(H,16,19)/t4?,5?,7-,8?,9?,10?,11?,12+,13+,14-/m0/s1.

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

N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide has a molecular weight of 509.25 g/mol, XLogP of -4.84, 6 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-iodoacetamide is sourced from PubChem (CID 89112026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).