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

C34H58N2O25 — CID 176511806

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

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-[(2S,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 176511806) has the molecular formula C34H58N2O25 and a molecular weight of 894.83 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-[(2S,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-[(2S,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 176511806
• Molecular Formula: C34H58N2O25
• Molecular Weight: 894.83 g/mol
• Exact Mass: 894.33
• IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-[(2S,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@@H](OC[C@H]4O[C@@H](O[C@@H]5[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]5O)[C@H](NC(C)=O)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@H]3O)O[C@H](C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C34H58N2O25/c1-8-17(42)27(59-31-15(35-9(2)40)22(47)18(43)12(5-38)56-31)26(51)34(54-8)60-28-21(46)13(6-39)57-33(25(28)50)53-7-14-20(45)23(48)16(36-10(3)41)32(58-14)61-29-24(49)19(44)11(4-37)55-30(29)52/h8,11-34,37-39,42-52H,4-7H2,1-3H3,(H,35,40)(H,36,41)/t8-,11-,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: VVUQJNJJPFQITR-SBXOMWENSA-N
• XLogP: -10.61
• TPSA: 424.49 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	894.83
LogP ≤ 5	-10.61
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-[(2S,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 176511806) is N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-[(2S,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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

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

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

The InChIKey is VVUQJNJJPFQITR-SBXOMWENSA-N. The full InChI is InChI=1S/C34H58N2O25/c1-8-17(42)27(59-31-15(35-9(2)40)22(47)18(43)12(5-38)56-31)26(51)34(54-8)60-28-21(46)13(6-39)57-33(25(28)50)53-7-14-20(45)23(48)16(36-10(3)41)32(58-14)61-29-24(49)19(44)11(4-37)55-30(29)52/h8,11-34,37-39,42-52H,4-7H2,1-3H3,(H,35,40)(H,36,41)/t8-,11-,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-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-[(2S,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-[(2S,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 894.83 g/mol, XLogP of -10.61, 14 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-[(2S,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 176511806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).