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

C38H65NO28 — CID 118460686

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

N-[(2S,3S,5S)-2-[(2S,3S,5S)-2-[(3S,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 118460686) has the molecular formula C38H65NO28 and a molecular weight of 983.92 g/mol. Its IUPAC name is N-[(2S,3S,5S)-2-[(2S,3S,5S)-2-[(3S,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3S,5S)-2-[(2S,3S,5S)-2-[(3S,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
• PubChem CID: 118460686
• Molecular Formula: C38H65NO28
• Molecular Weight: 983.92 g/mol
• Exact Mass: 983.37
• IUPAC Name: N-[(2S,3S,5S)-2-[(2S,3S,5S)-2-[(3S,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1C(O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O)C2O[C@@H]2O[C@@H](C)[C@@H](O)C(O)C2O)C(CO)O[C@H]1OC1[C@@H](O)C(CO)O[C@@H](O[C@@H]2C(CO)OC[C@@H](O)C2O)[C@H]1O
• InChI: InChI=1S/C38H65NO28/c1-9-18(46)23(51)26(54)35(58-9)65-31-17(39-11(3)44)34(66-32-22(50)14(5-41)60-37(28(32)56)63-29-15(6-42)57-8-12(45)20(29)48)62-16(7-43)30(31)64-38-33(25(53)21(49)13(4-40)61-38)67-36-27(55)24(52)19(47)10(2)59-36/h9-10,12-38,40-43,45-56H,4-8H2,1-3H3,(H,39,44)/t9?,10-,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-/m0/s1
• InChIKey: WLDXSHLDBZOHNH-CAUGLEJFSA-N
• XLogP: -11.22
• TPSA: 454.31 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	983.92
LogP ≤ 5	-11.22
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of N-[(2S,3S,5S)-2-[(2S,3S,5S)-2-[(3S,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CID 118460686) is N-[(2S,3S,5S)-2-[(2S,3S,5S)-2-[(3S,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2S,3S,5S)-2-[(2S,3S,5S)-2-[(3S,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)N[C@H]1C(O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O)C2O[C@@H]2O[C@@H](C)[C@@H](O)C(O)C2O)C(CO)O[C@H]1OC1[C@@H](O)C(CO)O[C@@H](O[C@@H]2C(CO)OC[C@@H](O)C2O)[C@H]1O.

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

The InChIKey is WLDXSHLDBZOHNH-CAUGLEJFSA-N. The full InChI is InChI=1S/C38H65NO28/c1-9-18(46)23(51)26(54)35(58-9)65-31-17(39-11(3)44)34(66-32-22(50)14(5-41)60-37(28(32)56)63-29-15(6-42)57-8-12(45)20(29)48)62-16(7-43)30(31)64-38-33(25(53)21(49)13(4-40)61-38)67-36-27(55)24(52)19(47)10(2)59-36/h9-10,12-38,40-43,45-56H,4-8H2,1-3H3,(H,39,44)/t9?,10-,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-/m0/s1.

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

N-[(2S,3S,5S)-2-[(2S,3S,5S)-2-[(3S,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 983.92 g/mol, XLogP of -11.22, 15 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S,5S)-2-[(2S,3S,5S)-2-[(3S,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 118460686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).