(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide

C66H124N2O24 — CID 163110041

About (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide

(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide (PubChem CID 163110041) has the molecular formula C66H124N2O24 and a molecular weight of 1329.71 g/mol. Its IUPAC name is (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide
• PubChem CID: 163110041
• Molecular Formula: C66H124N2O24
• Molecular Weight: 1329.71 g/mol
• Exact Mass: 1328.85
• IUPAC Name: (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide
• SMILES: CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCC
• InChI: InChI=1S/C66H124N2O24/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-45(73)62(84)68-43(51(75)44(72)35-33-31-29-27-25-16-14-12-10-8-6-2)39-85-66-61(57(81)52(76)46(37-69)89-66)92-65-59(83)56(80)53(77)48(90-65)40-86-63-49(67-42(4)71)60(54(78)47(38-70)88-63)91-64-58(82)55(79)50(74)41(3)87-64/h41,43-61,63-66,69-70,72-83H,5-40H2,1-4H3,(H,67,71)(H,68,84)/t41-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55+,56-,57-,58+,59+,60+,61+,63+,64-,65+,66-/m0/s1
• InChIKey: JGKGDUYUAYYQPR-ROWDZCGGSA-N
• XLogP: 2.54
• TPSA: 415.26 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 49
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1329.71
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide?

The IUPAC name of (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide (CID 163110041) is (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide.

What is the SMILES notation for (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide?

The canonical SMILES for (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide is CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCC.

What is the InChIKey of (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide?

The InChIKey is JGKGDUYUAYYQPR-ROWDZCGGSA-N. The full InChI is InChI=1S/C66H124N2O24/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-45(73)62(84)68-43(51(75)44(72)35-33-31-29-27-25-16-14-12-10-8-6-2)39-85-66-61(57(81)52(76)46(37-69)89-66)92-65-59(83)56(80)53(77)48(90-65)40-86-63-49(67-42(4)71)60(54(78)47(38-70)88-63)91-64-58(82)55(79)50(74)41(3)87-64/h41,43-61,63-66,69-70,72-83H,5-40H2,1-4H3,(H,67,71)(H,68,84)/t41-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55+,56-,57-,58+,59+,60+,61+,63+,64-,65+,66-/m0/s1.

What are the key properties of (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide?

(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide has a molecular weight of 1329.71 g/mol, XLogP of 2.54, 49 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyheptadecan-2-yl]-2-hydroxytricosanamide is sourced from PubChem (CID 163110041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).