N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide

C54H62N4O14 — CID 11607676

About N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 11607676) has the molecular formula C54H62N4O14 and a molecular weight of 991.10 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide
• PubChem CID: 11607676
• Molecular Formula: C54H62N4O14
• Molecular Weight: 991.10 g/mol
• Exact Mass: 990.43
• IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2OC[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1N=[N+]=[N-]
• InChI: InChI=1S/C54H62N4O14/c1-35(59)56-44-50(72-53-47(62)46(61)45(60)41(70-53)32-63-27-36-17-7-2-8-18-36)49(43(69-52(44)57-58-55)33-64-28-37-19-9-3-10-20-37)71-54-51(67-31-40-25-15-6-16-26-40)48(66-30-39-23-13-5-14-24-39)42(34-68-54)65-29-38-21-11-4-12-22-38/h2-26,41-54,60-62H,27-34H2,1H3,(H,56,59)/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-,51+,52-,53+,54+/m1/s1
• InChIKey: PJHZEUFUVZKTSJ-TYUSAIJSSA-N
• XLogP: 5.65
• TPSA: 230.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.10
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide?

The IUPAC name of N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 11607676) is N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide?

The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2OC[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1N=[N+]=[N-].

What is the InChIKey of N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide?

The InChIKey is PJHZEUFUVZKTSJ-TYUSAIJSSA-N. The full InChI is InChI=1S/C54H62N4O14/c1-35(59)56-44-50(72-53-47(62)46(61)45(60)41(70-53)32-63-27-36-17-7-2-8-18-36)49(43(69-52(44)57-58-55)33-64-28-37-19-9-3-10-20-37)71-54-51(67-31-40-25-15-6-16-26-40)48(66-30-39-23-13-5-14-24-39)42(34-68-54)65-29-38-21-11-4-12-22-38/h2-26,41-54,60-62H,27-34H2,1H3,(H,56,59)/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-,51+,52-,53+,54+/m1/s1.

What are the key properties of N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide?

N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 991.10 g/mol, XLogP of 5.65, 23 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5S,6R)-2-azido-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 11607676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).