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

C35H61NO23 — CID 70841983

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

N-[(2R,4R,5S)-4-[(2S,4S,5S)-4-[(2S,4S,5R)-3-[(2S,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide (PubChem CID 70841983) has the molecular formula C35H61NO23 and a molecular weight of 863.86 g/mol. Its IUPAC name is N-[(2R,4R,5S)-4-[(2S,4S,5S)-4-[(2S,4S,5R)-3-[(2S,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,4R,5S)-4-[(2S,4S,5S)-4-[(2S,4S,5R)-3-[(2S,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide
• PubChem CID: 70841983
• Molecular Formula: C35H61NO23
• Molecular Weight: 863.86 g/mol
• Exact Mass: 863.36
• IUPAC Name: N-[(2R,4R,5S)-4-[(2S,4S,5S)-4-[(2S,4S,5R)-3-[(2S,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide
• SMILES: CCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O[C@@H]2OC(C)[C@H](O)[C@H](O[C@@H]3OC(C)[C@H](O)[C@H](O)C3O[C@@H]3OC(C)[C@H](O)[C@H](O[C@H]4O[C@@H](CO)[C@@H](O)C(O)C4O)C3O)C2O)C1NC(C)=O
• InChI: InChI=1S/C35H61NO23/c1-6-7-50-31-16(36-13(5)39)27(21(44)15(9-38)54-31)56-33-26(49)29(19(42)12(4)51-33)58-35-30(23(46)17(40)10(2)53-35)59-34-25(48)28(18(41)11(3)52-34)57-32-24(47)22(45)20(43)14(8-37)55-32/h10-12,14-35,37-38,40-49H,6-9H2,1-5H3,(H,36,39)/t10?,11?,12?,14-,15?,16?,17-,18-,19-,20+,21+,22?,23-,24?,25?,26?,27+,28-,29-,30?,31+,32+,33-,34-,35-/m0/s1
• InChIKey: DMQMEGAQKBRFBT-LNULQKCTSA-N
• XLogP: -7.26
• TPSA: 364.16 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	863.86
LogP ≤ 5	-7.26
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of N-[(2R,4R,5S)-4-[(2S,4S,5S)-4-[(2S,4S,5R)-3-[(2S,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide (CID 70841983) is N-[(2R,4R,5S)-4-[(2S,4S,5S)-4-[(2S,4S,5R)-3-[(2S,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2R,4R,5S)-4-[(2S,4S,5S)-4-[(2S,4S,5R)-3-[(2S,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide is CCCO[C@@H]1OC(CO)[C@@H](O)[C@H](O[C@@H]2OC(C)[C@H](O)[C@H](O[C@@H]3OC(C)[C@H](O)[C@H](O)C3O[C@@H]3OC(C)[C@H](O)[C@H](O[C@H]4O[C@@H](CO)[C@@H](O)C(O)C4O)C3O)C2O)C1NC(C)=O.

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

The InChIKey is DMQMEGAQKBRFBT-LNULQKCTSA-N. The full InChI is InChI=1S/C35H61NO23/c1-6-7-50-31-16(36-13(5)39)27(21(44)15(9-38)54-31)56-33-26(49)29(19(42)12(4)51-33)58-35-30(23(46)17(40)10(2)53-35)59-34-25(48)28(18(41)11(3)52-34)57-32-24(47)22(45)20(43)14(8-37)55-32/h10-12,14-35,37-38,40-49H,6-9H2,1-5H3,(H,36,39)/t10?,11?,12?,14-,15?,16?,17-,18-,19-,20+,21+,22?,23-,24?,25?,26?,27+,28-,29-,30?,31+,32+,33-,34-,35-/m0/s1.

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

N-[(2R,4R,5S)-4-[(2S,4S,5S)-4-[(2S,4S,5R)-3-[(2S,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide has a molecular weight of 863.86 g/mol, XLogP of -7.26, 14 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4R,5S)-4-[(2S,4S,5S)-4-[(2S,4S,5R)-3-[(2S,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide is sourced from PubChem (CID 70841983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).