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

C26H45NO22 — CID 122595050

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

N-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R,6R)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide (PubChem CID 122595050) has the molecular formula C26H45NO22 and a molecular weight of 723.63 g/mol. Its IUPAC name is N-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R,6R)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R,6R)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide
• PubChem CID: 122595050
• Molecular Formula: C26H45NO22
• Molecular Weight: 723.63 g/mol
• Exact Mass: 723.24
• IUPAC Name: N-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R,6R)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide
• SMILES: CC(=O)NC1[C@H](O[C@]2(O)C(CO)O[C@@H](O[C@@H]3C(CO)OC(O)C(O)[C@H]3O)C(O)[C@H]2O)OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@@H]1O
• InChI: InChI=1S/C26H45NO22/c1-6(32)27-11-13(34)19(47-24-17(38)14(35)12(33)7(2-28)44-24)9(4-30)45-23(11)49-26(42)10(5-31)46-25(18(39)21(26)40)48-20-8(3-29)43-22(41)16(37)15(20)36/h7-25,28-31,33-42H,2-5H2,1H3,(H,27,32)/t7?,8?,9?,10?,11?,12-,13+,14-,15+,16?,17?,18?,19+,20+,21+,22?,23-,24-,25-,26+/m0/s1
• InChIKey: BBANTOABHWEXLS-PGDIPMSQSA-N
• XLogP: -10.28
• TPSA: 376.93 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	723.63
LogP ≤ 5	-10.28
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	22

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

The IUPAC name of N-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R,6R)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide (CID 122595050) is N-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R,6R)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R,6R)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide is CC(=O)NC1[C@H](O[C@]2(O)C(CO)O[C@@H](O[C@@H]3C(CO)OC(O)C(O)[C@H]3O)C(O)[C@H]2O)OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@@H]1O.

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

The InChIKey is BBANTOABHWEXLS-PGDIPMSQSA-N. The full InChI is InChI=1S/C26H45NO22/c1-6(32)27-11-13(34)19(47-24-17(38)14(35)12(33)7(2-28)44-24)9(4-30)45-23(11)49-26(42)10(5-31)46-25(18(39)21(26)40)48-20-8(3-29)43-22(41)16(37)15(20)36/h7-25,28-31,33-42H,2-5H2,1H3,(H,27,32)/t7?,8?,9?,10?,11?,12-,13+,14-,15+,16?,17?,18?,19+,20+,21+,22?,23-,24-,25-,26+/m0/s1.

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

N-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R,6R)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide has a molecular weight of 723.63 g/mol, XLogP of -10.28, 11 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3S,4R,6R)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 122595050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).