N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]acetamide

C32H56N4O21 — CID 10865747

About N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]acetamide (PubChem CID 10865747) has the molecular formula C32H56N4O21 and a molecular weight of 832.81 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]acetamide
• PubChem CID: 10865747
• Molecular Formula: C32H56N4O21
• Molecular Weight: 832.81 g/mol
• Exact Mass: 832.34
• IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-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](OCCCCCCN=[N+]=[N-])[C@@H]2O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C32H56N4O21/c1-12(40)35-17-21(44)19(42)16(55-29(17)57-28-20(43)14(9-38)52-31(26(28)49)50-7-5-3-2-4-6-34-36-33)11-51-30-25(48)23(46)27(15(10-39)54-30)56-32-24(47)22(45)18(41)13(8-37)53-32/h13-32,37-39,41-49H,2-11H2,1H3,(H,35,40)/t13-,14-,15-,16-,17-,18+,19-,20+,21-,22+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+/m1/s1
• InChIKey: OODFNPHOPLNONO-VWXGFOCTSA-N
• XLogP: -6.71
• TPSA: 394.46 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	832.81
LogP ≤ 5	-6.71
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

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-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]acetamide?

The IUPAC name of N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]acetamide (CID 10865747) is N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-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](OCCCCCCN=[N+]=[N-])[C@@H]2O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.

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

The InChIKey is OODFNPHOPLNONO-VWXGFOCTSA-N. The full InChI is InChI=1S/C32H56N4O21/c1-12(40)35-17-21(44)19(42)16(55-29(17)57-28-20(43)14(9-38)52-31(26(28)49)50-7-5-3-2-4-6-34-36-33)11-51-30-25(48)23(46)27(15(10-39)54-30)56-32-24(47)22(45)18(41)13(8-37)53-32/h13-32,37-39,41-49H,2-11H2,1H3,(H,35,40)/t13-,14-,15-,16-,17-,18+,19-,20+,21-,22+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+/m1/s1.

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

N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]acetamide has a molecular weight of 832.81 g/mol, XLogP of -6.71, 19 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(6-azidohexoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 10865747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).