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

C16H29NO10 — CID 174040731

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

N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-methyl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]-N-methylacetamide (PubChem CID 174040731) has the molecular formula C16H29NO10 and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-methyl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-methyl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]-N-methylacetamide
• PubChem CID: 174040731
• Molecular Formula: C16H29NO10
• Molecular Weight: 395.41 g/mol
• Exact Mass: 395.18
• IUPAC Name: N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-methyl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]-N-methylacetamide
• SMILES: CC(=O)N(C)C1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O)C2O)C(CO)O[C@H]1C
• InChI: InChI=1S/C16H29NO10/c1-6-10(17(3)7(2)20)12(22)15(9(5-19)25-6)27-16-14(24)13(23)11(21)8(4-18)26-16/h6,8-16,18-19,21-24H,4-5H2,1-3H3/t6-,8?,9?,10?,11-,12?,13?,14?,15+,16-/m0/s1
• InChIKey: WKMUAVGFMBKVIT-IRUZSRABSA-N
• XLogP: -3.84
• TPSA: 169.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.41
LogP ≤ 5	-3.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-methyl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]-N-methylacetamide (CID 174040731) is N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-methyl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]-N-methylacetamide.

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

The canonical SMILES for N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-methyl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]-N-methylacetamide is CC(=O)N(C)C1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O)C2O)C(CO)O[C@H]1C.

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

The InChIKey is WKMUAVGFMBKVIT-IRUZSRABSA-N. The full InChI is InChI=1S/C16H29NO10/c1-6-10(17(3)7(2)20)12(22)15(9(5-19)25-6)27-16-14(24)13(23)11(21)8(4-18)26-16/h6,8-16,18-19,21-24H,4-5H2,1-3H3/t6-,8?,9?,10?,11-,12?,13?,14?,15+,16-/m0/s1.

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

N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-methyl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]-N-methylacetamide has a molecular weight of 395.41 g/mol, XLogP of -3.84, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-methyl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]-N-methylacetamide is sourced from PubChem (CID 174040731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).