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

C21H37NO16 — CID 156616790

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

N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 156616790) has the molecular formula C21H37NO16 and a molecular weight of 559.52 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 156616790
• Molecular Formula: C21H37NO16
• Molecular Weight: 559.52 g/mol
• Exact Mass: 559.21
• IUPAC Name: N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CO[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O
• InChI: InChI=1S/C21H37NO16/c1-6(26)22-10-12(28)11(27)7(3-23)35-20(10)38-17-9(5-25)36-21(15(31)18(17)33-2)37-16-8(4-24)34-19(32)14(30)13(16)29/h7-21,23-25,27-32H,3-5H2,1-2H3,(H,22,26)/t7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,18-,19-,20+,21+/m1/s1
• InChIKey: HYFMZTCWMAGMAW-UPWQYKMZSA-N
• XLogP: -6.78
• TPSA: 266.55 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	559.52
LogP ≤ 5	-6.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 156616790) is N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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

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

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

The InChIKey is HYFMZTCWMAGMAW-UPWQYKMZSA-N. The full InChI is InChI=1S/C21H37NO16/c1-6(26)22-10-12(28)11(27)7(3-23)35-20(10)38-17-9(5-25)36-21(15(31)18(17)33-2)37-16-8(4-24)34-19(32)14(30)13(16)29/h7-21,23-25,27-32H,3-5H2,1-2H3,(H,22,26)/t7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,18-,19-,20+,21+/m1/s1.

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

N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 559.52 g/mol, XLogP of -6.78, 9 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 156616790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).