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

C28H43NO17 — CID 11490804

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

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[[4-(hydroxymethyl)phenyl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 11490804) has the molecular formula C28H43NO17 and a molecular weight of 665.64 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[[4-(hydroxymethyl)phenyl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[[4-(hydroxymethyl)phenyl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 11490804
• Molecular Formula: C28H43NO17
• Molecular Weight: 665.64 g/mol
• Exact Mass: 665.25
• IUPAC Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[[4-(hydroxymethyl)phenyl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](OCc3ccc(CO)cc3)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C28H43NO17/c1-11(34)29-17-20(37)18(35)14(7-31)42-26(17)46-25-23(40)27(41-10-13-4-2-12(6-30)3-5-13)44-16(9-33)24(25)45-28-22(39)21(38)19(36)15(8-32)43-28/h2-5,14-28,30-33,35-40H,6-10H2,1H3,(H,29,34)/t14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24+,25-,26+,27-,28+/m1/s1
• InChIKey: UGELOCOCWUJRLV-UWFSDYGISA-N
• XLogP: -5.71
• TPSA: 286.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	665.64
LogP ≤ 5	-5.71
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[[4-(hydroxymethyl)phenyl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 11490804) is N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[[4-(hydroxymethyl)phenyl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[[4-(hydroxymethyl)phenyl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](OCc3ccc(CO)cc3)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[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-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[[4-(hydroxymethyl)phenyl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is UGELOCOCWUJRLV-UWFSDYGISA-N. The full InChI is InChI=1S/C28H43NO17/c1-11(34)29-17-20(37)18(35)14(7-31)42-26(17)46-25-23(40)27(41-10-13-4-2-12(6-30)3-5-13)44-16(9-33)24(25)45-28-22(39)21(38)19(36)15(8-32)43-28/h2-5,14-28,30-33,35-40H,6-10H2,1H3,(H,29,34)/t14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24+,25-,26+,27-,28+/m1/s1.

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

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[[4-(hydroxymethyl)phenyl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 665.64 g/mol, XLogP of -5.71, 12 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[[4-(hydroxymethyl)phenyl]methoxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 11490804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).