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

C14H24N4O10 — CID 123355591

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

N-[(2R,4R,5S)-2-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 123355591) has the molecular formula C14H24N4O10 and a molecular weight of 408.36 g/mol. Its IUPAC name is N-[(2R,4R,5S)-2-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,4R,5S)-2-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• PubChem CID: 123355591
• Molecular Formula: C14H24N4O10
• Molecular Weight: 408.36 g/mol
• Exact Mass: 408.15
• IUPAC Name: N-[(2R,4R,5S)-2-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• SMILES: CC(=O)NC1[C@H](N=[N+]=[N-])OC(CO)[C@@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O
• InChI: InChI=1S/C14H24N4O10/c1-4(21)16-7-12(9(23)6(3-20)26-13(7)17-18-15)28-14-11(25)10(24)8(22)5(2-19)27-14/h5-14,19-20,22-25H,2-3H2,1H3,(H,16,21)/t5?,6?,7?,8-,9+,10-,11?,12+,13+,14-/m0/s1
• InChIKey: HPFZLWBVZWNLJE-SMYNKQOPSA-N
• XLogP: -3.94
• TPSA: 226.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	408.36
LogP ≤ 5	-3.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(2R,4R,5S)-2-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 123355591) is N-[(2R,4R,5S)-2-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

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

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

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

The InChIKey is HPFZLWBVZWNLJE-SMYNKQOPSA-N. The full InChI is InChI=1S/C14H24N4O10/c1-4(21)16-7-12(9(23)6(3-20)26-13(7)17-18-15)28-14-11(25)10(24)8(22)5(2-19)27-14/h5-14,19-20,22-25H,2-3H2,1H3,(H,16,21)/t5?,6?,7?,8-,9+,10-,11?,12+,13+,14-/m0/s1.

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

N-[(2R,4R,5S)-2-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 408.36 g/mol, XLogP of -3.94, 6 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4R,5S)-2-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 123355591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).