N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane

C81H154N18O24S — CID 158018172

About N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane

N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane (PubChem CID 158018172) has the molecular formula C81H154N18O24S and a molecular weight of 1796.29 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane
• PubChem CID: 158018172
• Molecular Formula: C81H154N18O24S
• Molecular Weight: 1796.29 g/mol
• Exact Mass: 1795.11
• IUPAC Name: N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane
• SMILES: CC(=O)N[C@H]1[C@H](OCCCCCN2C=C(CN(Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4C)nn3)C(CCCCN(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)C(C)(C)C)NN2)O[C@H](CO)[C@H](O)[C@@H]1O.CCC.CNC.COC.CSC
• InChI: InChI=1S/C72H127N17O23.C3H8.C2H7N.C2H6O.C2H6S/c1-44-60(97)61(98)52(40-90)109-68(44)105-28-18-8-13-26-88-38-50(78-82-88)34-85(35-51-39-89(83-79-51)27-16-11-21-31-108-71-59(75-47(4)96)67(104)64(101)55(43-93)112-71)56(72(5,6)7)22-12-17-23-84(32-48-36-86(80-76-48)24-14-9-19-29-106-69-57(73-45(2)94)65(102)62(99)53(41-91)110-69)33-49-37-87(81-77-49)25-15-10-20-30-107-70-58(74-46(3)95)66(103)63(100)54(42-92)111-70;4*1-3-2/h36-39,44,52-71,79,83,90-93,97-104H,8-35,40-43H2,1-7H3,(H,73,94)(H,74,95)(H,75,96);3H2,1-2H3;3H,1-2H3;2*1-2H3/t44-,52-,53-,54-,55-,56?,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-;;;;/m1..../s1
• InChIKey: FFSRYPWELAIYJE-NDCGZPFGSA-N
• XLogP: -1.14
• TPSA: 551.07 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 40
• Rotatable Bonds: 49
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1796.29
LogP ≤ 5	-1.14
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	40

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-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane?

The IUPAC name of N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane (CID 158018172) is N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane.

What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane?

The canonical SMILES for N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane is CC(=O)N[C@H]1[C@H](OCCCCCN2C=C(CN(Cc3cn(CCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4C)nn3)C(CCCCN(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)C(C)(C)C)NN2)O[C@H](CO)[C@H](O)[C@@H]1O.CCC.CNC.COC.CSC.

What is the InChIKey of N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane?

The InChIKey is FFSRYPWELAIYJE-NDCGZPFGSA-N. The full InChI is InChI=1S/C72H127N17O23.C3H8.C2H7N.C2H6O.C2H6S/c1-44-60(97)61(98)52(40-90)109-68(44)105-28-18-8-13-26-88-38-50(78-82-88)34-85(35-51-39-89(83-79-51)27-16-11-21-31-108-71-59(75-47(4)96)67(104)64(101)55(43-93)112-71)56(72(5,6)7)22-12-17-23-84(32-48-36-86(80-76-48)24-14-9-19-29-106-69-57(73-45(2)94)65(102)62(99)53(41-91)110-69)33-49-37-87(81-77-49)25-15-10-20-30-107-70-58(74-46(3)95)66(103)63(100)54(42-92)111-70;4*1-3-2/h36-39,44,52-71,79,83,90-93,97-104H,8-35,40-43H2,1-7H3,(H,73,94)(H,74,95)(H,75,96);3H2,1-2H3;3H,1-2H3;2*1-2H3/t44-,52-,53-,54-,55-,56?,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,68-,69-,70-,71-;;;;/m1..../s1.

What are the key properties of N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane?

N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane has a molecular weight of 1796.29 g/mol, XLogP of -1.14, 49 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5R,6R)-2-[5-[5-[[[7-[bis[[1-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]-2,2-dimethylheptan-3-yl]-[[1-[5-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentyl]triazol-4-yl]methyl]amino]methyl]-1,2-dihydrotriazol-3-yl]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane;N-methylmethanamine;methylsulfanylmethane;propane is sourced from PubChem (CID 158018172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).