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

C72H126N16O21 — CID 126709686

About N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]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-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 126709686) has the molecular formula C72H126N16O21 and a molecular weight of 1551.89 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]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-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 126709686
• Molecular Formula: C72H126N16O21
• Molecular Weight: 1551.89 g/mol
• Exact Mass: 1550.93
• IUPAC Name: N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]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(CCCCC(N(Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)C4C)nn3)Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)C(C)(C)C)Cc3cn(CCCCCC[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4C)nn3)nn2)O[C@H](CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C72H126N16O21/c1-45-53(106-54(41-89)63(97)61(45)95)23-13-8-9-15-26-85-37-49(75-79-85)33-83(34-50-38-86(80-76-50)27-17-11-21-31-104-70-59(73-47(3)93)67(101)65(99)56(43-91)108-70)25-19-14-24-58(72(5,6)7)84(35-51-39-87(81-77-51)28-16-10-20-30-103-69-46(2)62(96)64(98)55(42-90)107-69)36-52-40-88(82-78-52)29-18-12-22-32-105-71-60(74-48(4)94)68(102)66(100)57(44-92)109-71/h37-40,45-46,53-71,89-92,95-102H,8-36,41-44H2,1-7H3,(H,73,93)(H,74,94)/t45-,46?,53-,54+,55+,56+,57+,58?,59+,60+,61+,62+,63-,64-,65-,66-,67+,68+,69+,70+,71+/m0/s1
• InChIKey: AHZMUXCSLGFXCU-VPGIMTHNSA-N
• XLogP: -1.07
• TPSA: 494.89 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 48
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1551.89
LogP ≤ 5	-1.07
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

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-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]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-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 126709686) is N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]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-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]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-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]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(CCCCC(N(Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)C4C)nn3)Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)C(C)(C)C)Cc3cn(CCCCCC[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4C)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-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is AHZMUXCSLGFXCU-VPGIMTHNSA-N. The full InChI is InChI=1S/C72H126N16O21/c1-45-53(106-54(41-89)63(97)61(45)95)23-13-8-9-15-26-85-37-49(75-79-85)33-83(34-50-38-86(80-76-50)27-17-11-21-31-104-70-59(73-47(3)93)67(101)65(99)56(43-91)108-70)25-19-14-24-58(72(5,6)7)84(35-51-39-87(81-77-51)28-16-10-20-30-103-69-46(2)62(96)64(98)55(42-90)107-69)36-52-40-88(82-78-52)29-18-12-22-32-105-71-60(74-48(4)94)68(102)66(100)57(44-92)109-71/h37-40,45-46,53-71,89-92,95-102H,8-36,41-44H2,1-7H3,(H,73,93)(H,74,94)/t45-,46?,53-,54+,55+,56+,57+,58?,59+,60+,61+,62+,63-,64-,65-,66-,67+,68+,69+,70+,71+/m0/s1.

What are the key properties of N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]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-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 1551.89 g/mol, XLogP of -1.07, 48 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5R,6R)-2-[5-[4-[[[5-[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-6,6-dimethylheptyl]-[[1-[6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]hexyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 126709686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).