N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide

C106H194N8O48 — CID 163845801

About N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide

N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 163845801) has the molecular formula C106H194N8O48 and a molecular weight of 2348.73 g/mol. Its IUPAC name is N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
• PubChem CID: 163845801
• Molecular Formula: C106H194N8O48
• Molecular Weight: 2348.73 g/mol
• Exact Mass: 2347.30
• IUPAC Name: N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
• SMILES: CC(=O)NC1[C@H](OCCCCC(=O)CCC(C)CNC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCOCC(C)(COCCCCCC[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)COCCCCCC[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCOCCOCC(C)COCCOCCO[C@@H]2CC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C46H85N3O19.C31H55N3O14.C29H54N2O15/c1-28(53)47-36-31(66-33(22-50)39(56)42(36)59)16-10-5-7-12-18-62-25-46(4,26-63-19-13-8-6-11-17-32-37(48-29(2)54)43(60)40(57)34(23-51)67-32)27-64-20-14-9-15-21-65-45-38(49-30(3)55)44(61)41(58)35(24-52)68-45;1-17(10-11-20(39)8-4-6-12-45-30-24(33-18(2)37)28(43)26(41)21(15-35)47-30)14-32-23(40)9-5-7-13-46-31-25(34-19(3)38)29(44)27(42)22(16-36)48-31;1-17(15-42-6-4-40-8-10-44-21-12-20(13-32)25(36)27(38)23(21)30-18(2)34)16-43-7-5-41-9-11-45-29-24(31-19(3)35)28(39)26(37)22(14-33)46-29/h31-45,50-52,56-61H,5-27H2,1-4H3,(H,47,53)(H,48,54)(H,49,55);17,21-22,24-31,35-36,41-44H,4-16H2,1-3H3,(H,32,40)(H,33,37)(H,34,38);17,20-29,32-33,36-39H,4-16H2,1-3H3,(H,30,34)(H,31,35)/t31-,32-,33?,34?,35?,36?,37?,38?,39-,40-,41-,42+,43+,44+,45+,46?;17?,21?,22?,24?,25?,26-,27-,28+,29+,30+,31+;17?,20?,21-,22?,23?,24?,25+,26+,27-,28-,29-/m001/s1
• InChIKey: OQAUCPBFKWAFHL-WKUYJIQBSA-N
• XLogP: -8.33
• TPSA: 840.84 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 48
• Rotatable Bonds: 76
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2348.73
LogP ≤ 5	-8.33
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide?

The IUPAC name of N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide (CID 163845801) is N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide.

What is the SMILES notation for N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide?

The canonical SMILES for N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide is CC(=O)NC1[C@H](OCCCCC(=O)CCC(C)CNC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCOCC(C)(COCCCCCC[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)COCCCCCC[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCOCCOCC(C)COCCOCCO[C@@H]2CC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.

What is the InChIKey of N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide?

The InChIKey is OQAUCPBFKWAFHL-WKUYJIQBSA-N. The full InChI is InChI=1S/C46H85N3O19.C31H55N3O14.C29H54N2O15/c1-28(53)47-36-31(66-33(22-50)39(56)42(36)59)16-10-5-7-12-18-62-25-46(4,26-63-19-13-8-6-11-17-32-37(48-29(2)54)43(60)40(57)34(23-51)67-32)27-64-20-14-9-15-21-65-45-38(49-30(3)55)44(61)41(58)35(24-52)68-45;1-17(10-11-20(39)8-4-6-12-45-30-24(33-18(2)37)28(43)26(41)21(15-35)47-30)14-32-23(40)9-5-7-13-46-31-25(34-19(3)38)29(44)27(42)22(16-36)48-31;1-17(15-42-6-4-40-8-10-44-21-12-20(13-32)25(36)27(38)23(21)30-18(2)34)16-43-7-5-41-9-11-45-29-24(31-19(3)35)28(39)26(37)22(14-33)46-29/h31-45,50-52,56-61H,5-27H2,1-4H3,(H,47,53)(H,48,54)(H,49,55);17,21-22,24-31,35-36,41-44H,4-16H2,1-3H3,(H,32,40)(H,33,37)(H,34,38);17,20-29,32-33,36-39H,4-16H2,1-3H3,(H,30,34)(H,31,35)/t31-,32-,33?,34?,35?,36?,37?,38?,39-,40-,41-,42+,43+,44+,45+,46?;17?,21?,22?,24?,25?,26-,27-,28+,29+,30+,31+;17?,20?,21-,22?,23?,24?,25+,26+,27-,28-,29-/m001/s1.

What are the key properties of N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide?

N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 2348.73 g/mol, XLogP of -8.33, 76 rotatable bonds, 29 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,4R,5R)-2-[6-[2-[6-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexoxymethyl]-3-[5-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-methylpropoxy]hexyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methyl-5-oxononyl]pentanamide;N-[(2R,3S,6R)-6-[2-[2-[3-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 163845801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).