N-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C14H26N2O9 — CID 46911536

About N-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 46911536) has the molecular formula C14H26N2O9 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 46911536
• Molecular Formula: C14H26N2O9
• Molecular Weight: 366.37 g/mol
• Exact Mass: 366.16
• IUPAC Name: N-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)CN[C@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C14H26N2O9/c1-5(19)16-9-12(23)11(22)8(4-18)24-14(9)25-13-6(3-17)15-2-7(20)10(13)21/h6-15,17-18,20-23H,2-4H2,1H3,(H,16,19)/t6-,7+,8+,9-,10-,11+,12+,13-,14-/m0/s1
• InChIKey: JXGDBZZZRYRMBX-RMNGOQLYSA-N
• XLogP: -5.00
• TPSA: 180.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.37
LogP ≤ 5	-5.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 46911536) is N-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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

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

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

The InChIKey is JXGDBZZZRYRMBX-RMNGOQLYSA-N. The full InChI is InChI=1S/C14H26N2O9/c1-5(19)16-9-12(23)11(22)8(4-18)24-14(9)25-13-6(3-17)15-2-7(20)10(13)21/h6-15,17-18,20-23H,2-4H2,1H3,(H,16,19)/t6-,7+,8+,9-,10-,11+,12+,13-,14-/m0/s1.

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

N-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 366.37 g/mol, XLogP of -5.00, 5 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 46911536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).