N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C73H125N17O24 — CID 167705941

About N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 167705941) has the molecular formula C73H125N17O24 and a molecular weight of 1624.90 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 167705941
• Molecular Formula: C73H125N17O24
• Molecular Weight: 1624.90 g/mol
• Exact Mass: 1623.91
• IUPAC Name: N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@H](OCCCCCn2cc(CN(CCCC[C@H](C(=O)C(C)(C)C)N(Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)C4C)nn3)nn2)O[C@H](CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C73H125N17O24/c1-44-60(98)61(99)53(40-91)111-69(44)107-28-18-8-13-24-87-36-48(77-81-87)32-85(33-49-37-88(82-78-49)25-14-9-19-29-108-70-57(74-45(2)95)65(103)62(100)54(41-92)112-70)23-17-12-22-52(68(106)73(5,6)7)86(34-50-38-89(83-79-50)26-15-10-20-30-109-71-58(75-46(3)96)66(104)63(101)55(42-93)113-71)35-51-39-90(84-80-51)27-16-11-21-31-110-72-59(76-47(4)97)67(105)64(102)56(43-94)114-72/h36-39,44,52-67,69-72,91-94,98-105H,8-35,40-43H2,1-7H3,(H,74,95)(H,75,96)(H,76,97)/t44?,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,69-,70-,71-,72-/m1/s1
• InChIKey: ZCKSTPRDBYUQDK-KORQUGIPSA-N
• XLogP: -3.43
• TPSA: 550.29 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 38
• Rotatable Bonds: 50
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.90
LogP ≤ 5	-3.43
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The IUPAC name of N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 167705941) is N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The canonical SMILES for N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](OCCCCCn2cc(CN(CCCC[C@H](C(=O)C(C)(C)C)N(Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)C4C)nn3)nn2)O[C@H](CO)[C@H](O)[C@@H]1O.

What is the InChIKey of N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is ZCKSTPRDBYUQDK-KORQUGIPSA-N. The full InChI is InChI=1S/C73H125N17O24/c1-44-60(98)61(99)53(40-91)111-69(44)107-28-18-8-13-24-87-36-48(77-81-87)32-85(33-49-37-88(82-78-49)25-14-9-19-29-108-70-57(74-45(2)95)65(103)62(100)54(41-92)112-70)23-17-12-22-52(68(106)73(5,6)7)86(34-50-38-89(83-79-50)26-15-10-20-30-109-71-58(75-46(3)96)66(104)63(101)55(42-93)113-71)35-51-39-90(84-80-51)27-16-11-21-31-110-72-59(76-47(4)97)67(105)64(102)56(43-94)114-72/h36-39,44,52-67,69-72,91-94,98-105H,8-35,40-43H2,1-7H3,(H,74,95)(H,75,96)(H,76,97)/t44?,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,69-,70-,71-,72-/m1/s1.

What are the key properties of N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 1624.90 g/mol, XLogP of -3.43, 50 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[(5R)-5-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-7,7-dimethyl-6-oxooctyl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 167705941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).