N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

C16H28N2O10 — CID 156617134

About N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 156617134) has the molecular formula C16H28N2O10 and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• PubChem CID: 156617134
• Molecular Formula: C16H28N2O10
• Molecular Weight: 408.40 g/mol
• Exact Mass: 408.17
• IUPAC Name: N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](NC(C)=O)[C@@H](C)O[C@H]1O
• InChI: InChI=1S/C16H28N2O10/c1-5-9(17-6(2)20)14(10(15(25)26-5)18-7(3)21)28-16-13(24)12(23)11(22)8(4-19)27-16/h5,8-16,19,22-25H,4H2,1-3H3,(H,17,20)(H,18,21)/t5-,8-,9-,10-,11+,12+,13-,14+,15-,16-/m1/s1
• InChIKey: NCBNRSYHXJCXJJ-VFOFGCEISA-N
• XLogP: -4.08
• TPSA: 187.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.40
LogP ≤ 5	-4.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 156617134) is N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](NC(C)=O)[C@@H](C)O[C@H]1O.

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

The InChIKey is NCBNRSYHXJCXJJ-VFOFGCEISA-N. The full InChI is InChI=1S/C16H28N2O10/c1-5-9(17-6(2)20)14(10(15(25)26-5)18-7(3)21)28-16-13(24)12(23)11(22)8(4-19)27-16/h5,8-16,19,22-25H,4H2,1-3H3,(H,17,20)(H,18,21)/t5-,8-,9-,10-,11+,12+,13-,14+,15-,16-/m1/s1.

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

N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 408.40 g/mol, XLogP of -4.08, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4S,5R,6R)-5-acetamido-6-hydroxy-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 156617134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).