N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide

C26H43NO19 — CID 156615841

About N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide

N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide (PubChem CID 156615841) has the molecular formula C26H43NO19 and a molecular weight of 673.62 g/mol. Its IUPAC name is N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide
• PubChem CID: 156615841
• Molecular Formula: C26H43NO19
• Molecular Weight: 673.62 g/mol
• Exact Mass: 673.24
• IUPAC Name: N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@H]2O[C@H]3[C@H](OC[C@H]4O[C@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O2)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H]([C@H](O)CO)[C@@H]3O
• InChI: InChI=1S/C26H43NO19/c1-6-12(32)21-18(38)25(40-6)44-20-11(27-7(2)30)23(41-9(4-29)14(20)34)46-22-17(37)19(8(31)3-28)43-26(22)39-5-10-13(33)15(35)16(36)24(42-10)45-21/h6,8-26,28-29,31-38H,3-5H2,1-2H3,(H,27,30)/t6-,8+,9+,10+,11+,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22+,23+,24+,25-,26+/m0/s1
• InChIKey: MAOOBKVTOBNESA-CLKTXERGSA-N
• XLogP: -7.53
• TPSA: 305.24 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	673.62
LogP ≤ 5	-7.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide?

The IUPAC name of N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide (CID 156615841) is N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide.

What is the SMILES notation for N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide?

The canonical SMILES for N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide is CC(=O)N[C@H]1[C@H]2O[C@H]3[C@H](OC[C@H]4O[C@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O2)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H]([C@H](O)CO)[C@@H]3O.

What is the InChIKey of N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide?

The InChIKey is MAOOBKVTOBNESA-CLKTXERGSA-N. The full InChI is InChI=1S/C26H43NO19/c1-6-12(32)21-18(38)25(40-6)44-20-11(27-7(2)30)23(41-9(4-29)14(20)34)46-22-17(37)19(8(31)3-28)43-26(22)39-5-10-13(33)15(35)16(36)24(42-10)45-21/h6,8-26,28-29,31-38H,3-5H2,1-2H3,(H,27,30)/t6-,8+,9+,10+,11+,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22+,23+,24+,25-,26+/m0/s1.

What are the key properties of N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide?

N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide has a molecular weight of 673.62 g/mol, XLogP of -7.53, 4 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3R,4S,5S,7S,9R,10S,11R,13R,15R,16S,17S,19R,22R,23S,24S,25R,27R,28R)-17-[(1R)-1,2-dihydroxyethyl]-4,10,16,23,24,25,28-heptahydroxy-11-(hydroxymethyl)-5-methyl-2,6,8,12,14,18,20,26-octaoxapentacyclo[20.3.1.13,7.19,13.015,19]octacosan-27-yl]acetamide is sourced from PubChem (CID 156615841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).