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

C32H55NO24 — CID 91856642

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

N-[(2S,3R,4R,5R,6R)-4-[(3R,4S,5S,6R)-4-[(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 91856642) has the molecular formula C32H55NO24 and a molecular weight of 837.77 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6R)-4-[(3R,4S,5S,6R)-4-[(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3R,4R,5R,6R)-4-[(3R,4S,5S,6R)-4-[(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 91856642
• Molecular Formula: C32H55NO24
• Molecular Weight: 837.77 g/mol
• Exact Mass: 837.31
• IUPAC Name: N-[(2S,3R,4R,5R,6R)-4-[(3R,4S,5S,6R)-4-[(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](OC4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O
• InChI: InChI=1S/C32H55NO24/c1-7-14(38)19(43)21(45)29(49-7)55-25-17(41)11(5-35)52-31(23(25)47)56-26-18(42)12(6-36)53-32(27(26)57-30-22(46)20(44)15(39)8(2)50-30)54-24-13(33-9(3)37)28(48)51-10(4-34)16(24)40/h7-8,10-32,34-36,38-48H,4-6H2,1-3H3,(H,33,37)/t7-,8+,10-,11-,12-,13-,14+,15-,16+,17-,18+,19-,20-,21-,22+,23+,24-,25+,26+,27-,28+,29?,30+,31?,32?/m1/s1
• InChIKey: HVULSSLMTZXWHD-CGUZLJAPSA-N
• XLogP: -9.73
• TPSA: 395.39 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.77
LogP ≤ 5	-9.73
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of N-[(2S,3R,4R,5R,6R)-4-[(3R,4S,5S,6R)-4-[(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 91856642) is N-[(2S,3R,4R,5R,6R)-4-[(3R,4S,5S,6R)-4-[(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2S,3R,4R,5R,6R)-4-[(3R,4S,5S,6R)-4-[(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](OC4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O.

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

The InChIKey is HVULSSLMTZXWHD-CGUZLJAPSA-N. The full InChI is InChI=1S/C32H55NO24/c1-7-14(38)19(43)21(45)29(49-7)55-25-17(41)11(5-35)52-31(23(25)47)56-26-18(42)12(6-36)53-32(27(26)57-30-22(46)20(44)15(39)8(2)50-30)54-24-13(33-9(3)37)28(48)51-10(4-34)16(24)40/h7-8,10-32,34-36,38-48H,4-6H2,1-3H3,(H,33,37)/t7-,8+,10-,11-,12-,13-,14+,15-,16+,17-,18+,19-,20-,21-,22+,23+,24-,25+,26+,27-,28+,29?,30+,31?,32?/m1/s1.

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

N-[(2S,3R,4R,5R,6R)-4-[(3R,4S,5S,6R)-4-[(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 837.77 g/mol, XLogP of -9.73, 12 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R,4R,5R,6R)-4-[(3R,4S,5S,6R)-4-[(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 91856642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).