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

C34H58N2O24 — CID 91849163

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

N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5R,6R)-3-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide (PubChem CID 91849163) has the molecular formula C34H58N2O24 and a molecular weight of 878.83 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5R,6R)-3-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5R,6R)-3-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide
• PubChem CID: 91849163
• Molecular Formula: C34H58N2O24
• Molecular Weight: 878.83 g/mol
• Exact Mass: 878.34
• IUPAC Name: N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5R,6R)-3-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](C)[C@H](O)C[C@H]2O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)O[C@H]1O
• InChI: InChI=1S/C34H58N2O24/c1-9-12(42)4-13(43)31(53-9)60-29-25(49)21(45)15(6-38)57-34(29)59-27-18(35-10(2)40)30(51)54-17(23(27)47)8-52-32-19(36-11(3)41)28(22(46)16(7-39)55-32)58-33-26(50)24(48)20(44)14(5-37)56-33/h9,12-34,37-39,42-51H,4-8H2,1-3H3,(H,35,40)(H,36,41)/t9-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33-,34+/m1/s1
• InChIKey: AAOBQFFZHQSLIY-YLRGVPECSA-N
• XLogP: -9.58
• TPSA: 404.26 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	878.83
LogP ≤ 5	-9.58
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5R,6R)-3-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide (CID 91849163) is N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5R,6R)-3-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide.

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

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

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

The InChIKey is AAOBQFFZHQSLIY-YLRGVPECSA-N. The full InChI is InChI=1S/C34H58N2O24/c1-9-12(42)4-13(43)31(53-9)60-29-25(49)21(45)15(6-38)57-34(29)59-27-18(35-10(2)40)30(51)54-17(23(27)47)8-52-32-19(36-11(3)41)28(22(46)16(7-39)55-32)58-33-26(50)24(48)20(44)14(5-37)56-33/h9,12-34,37-39,42-51H,4-8H2,1-3H3,(H,35,40)(H,36,41)/t9-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33-,34+/m1/s1.

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

N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5R,6R)-3-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide has a molecular weight of 878.83 g/mol, XLogP of -9.58, 14 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5R,6R)-3-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 91849163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).