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

C16H28N2O11 — CID 131700243

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

N-[(2R,5R)-6-[[(2R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide (PubChem CID 131700243) has the molecular formula C16H28N2O11 and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[(2R,5R)-6-[[(2R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,5R)-6-[[(2R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
• PubChem CID: 131700243
• Molecular Formula: C16H28N2O11
• Molecular Weight: 424.40 g/mol
• Exact Mass: 424.17
• IUPAC Name: N-[(2R,5R)-6-[[(2R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
• SMILES: CC(=O)NC1C(O)[C@H](O)C(CO)O[C@H]1OCC1O[C@@H](O)C(NC(C)=O)C(O)[C@H]1O
• InChI: InChI=1S/C16H28N2O11/c1-5(20)17-9-13(24)12(23)8(28-15(9)26)4-27-16-10(18-6(2)21)14(25)11(22)7(3-19)29-16/h7-16,19,22-26H,3-4H2,1-2H3,(H,17,20)(H,18,21)/t7?,8?,9?,10?,11-,12+,13?,14?,15-,16-/m1/s1
• InChIKey: ZNYQSCCJIAFAQX-OBYYDPBOSA-N
• XLogP: -5.11
• TPSA: 207.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	424.40
LogP ≤ 5	-5.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[(2R,5R)-6-[[(2R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide (CID 131700243) is N-[(2R,5R)-6-[[(2R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2R,5R)-6-[[(2R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide is CC(=O)NC1C(O)[C@H](O)C(CO)O[C@H]1OCC1O[C@@H](O)C(NC(C)=O)C(O)[C@H]1O.

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

The InChIKey is ZNYQSCCJIAFAQX-OBYYDPBOSA-N. The full InChI is InChI=1S/C16H28N2O11/c1-5(20)17-9-13(24)12(23)8(28-15(9)26)4-27-16-10(18-6(2)21)14(25)11(22)7(3-19)29-16/h7-16,19,22-26H,3-4H2,1-2H3,(H,17,20)(H,18,21)/t7?,8?,9?,10?,11-,12+,13?,14?,15-,16-/m1/s1.

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

N-[(2R,5R)-6-[[(2R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide has a molecular weight of 424.40 g/mol, XLogP of -5.11, 6 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,5R)-6-[[(2R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 131700243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).