N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide

C16H27N5O10 — CID 11655305

About N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide (PubChem CID 11655305) has the molecular formula C16H27N5O10 and a molecular weight of 449.42 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide
• PubChem CID: 11655305
• Molecular Formula: C16H27N5O10
• Molecular Weight: 449.42 g/mol
• Exact Mass: 449.18
• IUPAC Name: N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]1N=[N+]=[N-]
• InChI: InChI=1S/C16H27N5O10/c1-5(23)18-9-13(27)12(26)8(30-15(9)20-21-17)4-29-16-10(19-6(2)24)14(28)11(25)7(3-22)31-16/h7-16,22,25-28H,3-4H2,1-2H3,(H,18,23)(H,19,24)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-/m1/s1
• InChIKey: UVPXCSVJABIRML-MVGRPQHISA-N
• XLogP: -3.79
• TPSA: 235.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	449.42
LogP ≤ 5	-3.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide?

The IUPAC name of N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide (CID 11655305) is N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide?

The canonical SMILES for N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]1N=[N+]=[N-].

What is the InChIKey of N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide?

The InChIKey is UVPXCSVJABIRML-MVGRPQHISA-N. The full InChI is InChI=1S/C16H27N5O10/c1-5(23)18-9-13(27)12(26)8(30-15(9)20-21-17)4-29-16-10(19-6(2)24)14(28)11(25)7(3-22)31-16/h7-16,22,25-28H,3-4H2,1-2H3,(H,18,23)(H,19,24)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-/m1/s1.

What are the key properties of N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide?

N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide has a molecular weight of 449.42 g/mol, XLogP of -3.79, 7 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2-azido-4,5-dihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 11655305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).