N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide

C40H69NO32 — CID 91851193

About N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide

N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide (PubChem CID 91851193) has the molecular formula C40H69NO32 and a molecular weight of 1075.97 g/mol. Its IUPAC name is N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
• PubChem CID: 91851193
• Molecular Formula: C40H69NO32
• Molecular Weight: 1075.97 g/mol
• Exact Mass: 1075.38
• IUPAC Name: N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@H](O)[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@H](O)[C@@H](O[C@H]4[C@@H](O)[C@H](O)[C@@H]([C@@H](O)CO)O[C@@H]4O)O[C@H]([C@H](CO)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@@H](C)[C@@H]1O
• InChI: InChI=1S/C40H69NO32/c1-8-16(49)15(41-9(2)47)20(53)36(63-8)70-31-19(52)13(6-45)66-39(27(31)60)71-32-28(61)40(72-33-24(57)23(56)29(10(48)3-42)68-35(33)62)69-30(34(32)73-38-26(59)22(55)18(51)12(5-44)65-38)14(7-46)67-37-25(58)21(54)17(50)11(4-43)64-37/h8,10-40,42-46,48-62H,3-7H2,1-2H3,(H,41,47)/t8-,10-,11+,12+,13+,14-,15+,16-,17+,18+,19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29+,30+,31-,32+,33-,34+,35-,36+,37+,38+,39+,40+/m0/s1
• InChIKey: JBJVLOPYFMCOLK-NLLTVLAVSA-N
• XLogP: -14.21
• TPSA: 535.23 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1075.97
LogP ≤ 5	-14.21
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

The IUPAC name of N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide (CID 91851193) is N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide.

What is the SMILES notation for N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

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

What is the InChIKey of N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

The InChIKey is JBJVLOPYFMCOLK-NLLTVLAVSA-N. The full InChI is InChI=1S/C40H69NO32/c1-8-16(49)15(41-9(2)47)20(53)36(63-8)70-31-19(52)13(6-45)66-39(27(31)60)71-32-28(61)40(72-33-24(57)23(56)29(10(48)3-42)68-35(33)62)69-30(34(32)73-38-26(59)22(55)18(51)12(5-44)65-38)14(7-46)67-37-25(58)21(54)17(50)11(4-43)64-37/h8,10-40,42-46,48-62H,3-7H2,1-2H3,(H,41,47)/t8-,10-,11+,12+,13+,14-,15+,16-,17+,18+,19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29+,30+,31-,32+,33-,34+,35-,36+,37+,38+,39+,40+/m0/s1.

What are the key properties of N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide has a molecular weight of 1075.97 g/mol, XLogP of -14.21, 18 rotatable bonds, 21 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide is sourced from PubChem (CID 91851193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).