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

C15H28N2O10 — CID 140927646

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

N-[(2S,4R,5R)-2-(aminomethoxy)-5-hydroxy-6-methyl-4-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 140927646) has the molecular formula C15H28N2O10 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[(2S,4R,5R)-2-(aminomethoxy)-5-hydroxy-6-methyl-4-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,4R,5R)-2-(aminomethoxy)-5-hydroxy-6-methyl-4-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• PubChem CID: 140927646
• Molecular Formula: C15H28N2O10
• Molecular Weight: 396.39 g/mol
• Exact Mass: 396.17
• IUPAC Name: N-[(2S,4R,5R)-2-(aminomethoxy)-5-hydroxy-6-methyl-4-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• SMILES: CC(=O)NC1[C@H](OCN)OC(C)[C@@H](O)[C@@H]1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
• InChI: InChI=1S/C15H28N2O10/c1-5-9(20)13(8(17-6(2)19)14(25-5)24-4-16)27-15-12(23)11(22)10(21)7(3-18)26-15/h5,7-15,18,20-23H,3-4,16H2,1-2H3,(H,17,19)/t5?,7?,8?,9-,10-,11+,12?,13-,14-,15+/m1/s1
• InChIKey: OESGSGRBJRVNMG-JNLLULHXSA-N
• XLogP: -4.29
• TPSA: 193.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	396.39
LogP ≤ 5	-4.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(2S,4R,5R)-2-(aminomethoxy)-5-hydroxy-6-methyl-4-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 140927646) is N-[(2S,4R,5R)-2-(aminomethoxy)-5-hydroxy-6-methyl-4-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2S,4R,5R)-2-(aminomethoxy)-5-hydroxy-6-methyl-4-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)NC1[C@H](OCN)OC(C)[C@@H](O)[C@@H]1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O.

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

The InChIKey is OESGSGRBJRVNMG-JNLLULHXSA-N. The full InChI is InChI=1S/C15H28N2O10/c1-5-9(20)13(8(17-6(2)19)14(25-5)24-4-16)27-15-12(23)11(22)10(21)7(3-18)26-15/h5,7-15,18,20-23H,3-4,16H2,1-2H3,(H,17,19)/t5?,7?,8?,9-,10-,11+,12?,13-,14-,15+/m1/s1.

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

N-[(2S,4R,5R)-2-(aminomethoxy)-5-hydroxy-6-methyl-4-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 396.39 g/mol, XLogP of -4.29, 6 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,4R,5R)-2-(aminomethoxy)-5-hydroxy-6-methyl-4-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 140927646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).