(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide

C56H108N2O15 — CID 163114465

About (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide

(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide (PubChem CID 163114465) has the molecular formula C56H108N2O15 and a molecular weight of 1049.48 g/mol. Its IUPAC name is (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide
• PubChem CID: 163114465
• Molecular Formula: C56H108N2O15
• Molecular Weight: 1049.48 g/mol
• Exact Mass: 1048.77
• IUPAC Name: (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-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]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCC
• InChI: InChI=1S/C56H108N2O15/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-44(63)54(69)58-42(48(64)43(62)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)40-70-56-52(68)53(50(66)46(39-60)72-56)73-55-47(57-41(3)61)51(67)49(65)45(38-59)71-55/h42-53,55-56,59-60,62-68H,4-40H2,1-3H3,(H,57,61)(H,58,69)/t42-,43+,44+,45+,46+,47+,48-,49-,50-,51+,52+,53-,55+,56-/m0/s1
• InChIKey: VKPYIOCWYPEFBA-DORDPZEOSA-N
• XLogP: 6.64
• TPSA: 277.19 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 46
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1049.48
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

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,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide?

The IUPAC name of (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide (CID 163114465) is (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide.

What is the SMILES notation for (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide?

The canonical SMILES for (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-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]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCC.

What is the InChIKey of (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide?

The InChIKey is VKPYIOCWYPEFBA-DORDPZEOSA-N. The full InChI is InChI=1S/C56H108N2O15/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-44(63)54(69)58-42(48(64)43(62)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)40-70-56-52(68)53(50(66)46(39-60)72-56)73-55-47(57-41(3)61)51(67)49(65)45(38-59)71-55/h42-53,55-56,59-60,62-68H,4-40H2,1-3H3,(H,57,61)(H,58,69)/t42-,43+,44+,45+,46+,47+,48-,49-,50-,51+,52+,53-,55+,56-/m0/s1.

What are the key properties of (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide?

(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide has a molecular weight of 1049.48 g/mol, XLogP of 6.64, 46 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide is sourced from PubChem (CID 163114465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).