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

C53H103NO15 — CID 163111193

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

(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytricosanamide (PubChem CID 163111193) has the molecular formula C53H103NO15 and a molecular weight of 994.40 g/mol. Its IUPAC name is (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytricosanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytricosanamide
• PubChem CID: 163111193
• Molecular Formula: C53H103NO15
• Molecular Weight: 994.40 g/mol
• Exact Mass: 993.73
• IUPAC Name: (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-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]1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
• InChI: InChI=1S/C53H103NO15/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-41(58)51(65)54-39(44(59)40(57)34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-66-53-50(48(63)46(61)43(37-56)68-53)69-52-49(64)47(62)45(60)42(36-55)67-52/h39-50,52-53,55-64H,3-38H2,1-2H3,(H,54,65)/t39-,40+,41+,42+,43+,44-,45-,46-,47-,48-,49+,50+,52?,53-/m0/s1
• InChIKey: MKWQSSQSJGTHAX-RUMFMLNSSA-N
• XLogP: 6.11
• TPSA: 268.32 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 44
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	994.40
LogP ≤ 5	6.11
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,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytricosanamide?

The IUPAC name of (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytricosanamide (CID 163111193) is (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytricosanamide.

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

The canonical SMILES for (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-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]1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC.

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

The InChIKey is MKWQSSQSJGTHAX-RUMFMLNSSA-N. The full InChI is InChI=1S/C53H103NO15/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-41(58)51(65)54-39(44(59)40(57)34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-66-53-50(48(63)46(61)43(37-56)68-53)69-52-49(64)47(62)45(60)42(36-55)67-52/h39-50,52-53,55-64H,3-38H2,1-2H3,(H,54,65)/t39-,40+,41+,42+,43+,44-,45-,46-,47-,48-,49+,50+,52?,53-/m0/s1.

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

(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytricosanamide has a molecular weight of 994.40 g/mol, XLogP of 6.11, 44 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,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]-2-hydroxytricosanamide is sourced from PubChem (CID 163111193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).