N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide

C62H47NO9 — CID 59341697

About N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide

N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide (PubChem CID 59341697) has the molecular formula C62H47NO9 and a molecular weight of 950.06 g/mol. Its IUPAC name is N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide.

Molecular Properties

• Compound Name: N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide
• PubChem CID: 59341697
• Molecular Formula: C62H47NO9
• Molecular Weight: 950.06 g/mol
• Exact Mass: 949.33
• IUPAC Name: N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)N[C@@H](COC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)[C@H](O)[C@@H](C)O
• InChI: InChI=1S/C62H47NO9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34-43-57(65)63-55(58(66)50(2)64)48-71-62-61(70-47-54-41-32-25-33-42-54)60(69-46-53-39-30-24-31-40-53)59(68-45-52-37-28-23-29-38-52)56(72-62)49-67-44-51-35-26-22-27-36-51/h1,22-33,35-42,50,55-56,58-62,64,66H,44-49H2,2H3,(H,63,65)/t50-,55+,56?,58-,59?,60?,61?,62?/m1/s1
• InChIKey: KZGCQNKOSWERGK-NQTMFZOESA-N
• XLogP: 4.59
• TPSA: 124.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	950.06
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide?

The IUPAC name of N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide (CID 59341697) is N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide.

What is the SMILES notation for N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide?

The canonical SMILES for N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)N[C@@H](COC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)[C@H](O)[C@@H](C)O.

What is the InChIKey of N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide?

The InChIKey is KZGCQNKOSWERGK-NQTMFZOESA-N. The full InChI is InChI=1S/C62H47NO9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34-43-57(65)63-55(58(66)50(2)64)48-71-62-61(70-47-54-41-32-25-33-42-54)60(69-46-53-39-30-24-31-40-53)59(68-45-52-37-28-23-29-38-52)56(72-62)49-67-44-51-35-26-22-27-36-51/h1,22-33,35-42,50,55-56,58-62,64,66H,44-49H2,2H3,(H,63,65)/t50-,55+,56?,58-,59?,60?,61?,62?/m1/s1.

What are the key properties of N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide?

N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide has a molecular weight of 950.06 g/mol, XLogP of 4.59, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S,4R)-3,4-dihydroxy-1-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypentan-2-yl]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynamide is sourced from PubChem (CID 59341697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).