N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C16H26N2O10 — CID 25147477

About N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 25147477) has the molecular formula C16H26N2O10 and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 25147477
• Molecular Formula: C16H26N2O10
• Molecular Weight: 406.39 g/mol
• Exact Mass: 406.16
• IUPAC Name: N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)NC1=C(O)[C@H](O)[C@H](CO)O[C@H]1O[C@H]1C(O)[C@H](NC(C)=O)CO[C@@H]1CO
• InChI: InChI=1S/C16H26N2O10/c1-6(21)17-8-5-26-10(4-20)15(12(8)23)28-16-11(18-7(2)22)14(25)13(24)9(3-19)27-16/h8-10,12-13,15-16,19-20,23-25H,3-5H2,1-2H3,(H,17,21)(H,18,22)/t8-,9+,10-,12?,13-,15-,16+/m1/s1
• InChIKey: WYKUDLAGJQVNNG-UECVGEKTSA-N
• XLogP: -3.39
• TPSA: 187.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.39
LogP ≤ 5	-3.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The IUPAC name of N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 25147477) is N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The canonical SMILES for N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1=C(O)[C@H](O)[C@H](CO)O[C@H]1O[C@H]1C(O)[C@H](NC(C)=O)CO[C@@H]1CO.

What is the InChIKey of N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is WYKUDLAGJQVNNG-UECVGEKTSA-N. The full InChI is InChI=1S/C16H26N2O10/c1-6(21)17-8-5-26-10(4-20)15(12(8)23)28-16-11(18-7(2)22)14(25)13(24)9(3-19)27-16/h8-10,12-13,15-16,19-20,23-25H,3-5H2,1-2H3,(H,17,21)(H,18,22)/t8-,9+,10-,12?,13-,15-,16+/m1/s1.

What are the key properties of N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 406.39 g/mol, XLogP of -3.39, 6 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R,5S,6R)-5-[[(2S,3R,6S)-5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 25147477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).