N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C19H32N2O12 — CID 156617984

About N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 156617984) has the molecular formula C19H32N2O12 and a molecular weight of 480.47 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 156617984
• Molecular Formula: C19H32N2O12
• Molecular Weight: 480.47 g/mol
• Exact Mass: 480.20
• IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@@H](O[C@H](C)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@@H]1O
• InChI: InChI=1S/C19H32N2O12/c1-7(4-22)30-17-13(21-9(3)26)18(29)31-11(6-24)16(17)33-19-12(20-8(2)25)15(28)14(27)10(5-23)32-19/h4,7,10-19,23-24,27-29H,5-6H2,1-3H3,(H,20,25)(H,21,26)/t7-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+/m1/s1
• InChIKey: KJPMESXPRIMETC-ONOSSOBNSA-N
• XLogP: -4.50
• TPSA: 213.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	480.47
LogP ≤ 5	-4.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The IUPAC name of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 156617984) is N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

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

What is the InChIKey of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is KJPMESXPRIMETC-ONOSSOBNSA-N. The full InChI is InChI=1S/C19H32N2O12/c1-7(4-22)30-17-13(21-9(3)26)18(29)31-11(6-24)16(17)33-19-12(20-8(2)25)15(28)14(27)10(5-23)32-19/h4,7,10-19,23-24,27-29H,5-6H2,1-3H3,(H,20,25)(H,21,26)/t7-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+/m1/s1.

What are the key properties of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 480.47 g/mol, XLogP of -4.50, 9 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R)-1-oxopropan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 156617984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).