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

C24H42N4O15 — CID 132569019

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

N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(4-azidobutoxy)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 132569019) has the molecular formula C24H42N4O15 and a molecular weight of 626.61 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(4-azidobutoxy)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(4-azidobutoxy)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 132569019
• Molecular Formula: C24H42N4O15
• Molecular Weight: 626.61 g/mol
• Exact Mass: 626.26
• IUPAC Name: N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(4-azidobutoxy)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OCCCCN=[N+]=[N-])[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C24H42N4O15/c1-9-14(32)18(36)19(37)23(39-9)43-21-20(16(34)12(8-30)41-24(21)38-6-4-3-5-26-28-25)42-22-13(27-10(2)31)17(35)15(33)11(7-29)40-22/h9,11-24,29-30,32-37H,3-8H2,1-2H3,(H,27,31)/t9-,11+,12+,13+,14+,15-,16-,17+,18+,19-,20-,21+,22+,23-,24+/m0/s1
• InChIKey: GNZSGLCJVWNFDO-LDTXWBPHSA-N
• XLogP: -4.29
• TPSA: 295.08 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	626.61
LogP ≤ 5	-4.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(4-azidobutoxy)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The IUPAC name of N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(4-azidobutoxy)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 132569019) is N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(4-azidobutoxy)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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

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

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

The InChIKey is GNZSGLCJVWNFDO-LDTXWBPHSA-N. The full InChI is InChI=1S/C24H42N4O15/c1-9-14(32)18(36)19(37)23(39-9)43-21-20(16(34)12(8-30)41-24(21)38-6-4-3-5-26-28-25)42-22-13(27-10(2)31)17(35)15(33)11(7-29)40-22/h9,11-24,29-30,32-37H,3-8H2,1-2H3,(H,27,31)/t9-,11+,12+,13+,14+,15-,16-,17+,18+,19-,20-,21+,22+,23-,24+/m0/s1.

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

N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(4-azidobutoxy)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 626.61 g/mol, XLogP of -4.29, 13 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-(4-azidobutoxy)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 132569019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).