(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C61H63N3O10 — CID 122211491

About (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 122211491) has the molecular formula C61H63N3O10 and a molecular weight of 998.19 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
• PubChem CID: 122211491
• Molecular Formula: C61H63N3O10
• Molecular Weight: 998.19 g/mol
• Exact Mass: 997.45
• IUPAC Name: (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
• SMILES: [N-]=[N+]=NC[C@H]1O[C@@](COCc2ccccc2)(O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C61H63N3O10/c62-64-63-36-53-56(68-40-49-28-14-4-15-29-49)59(71-43-52-34-20-7-21-35-52)61(73-53,45-66-38-47-24-10-2-11-25-47)74-60-58(70-42-51-32-18-6-19-33-51)57(69-41-50-30-16-5-17-31-50)55(67-39-48-26-12-3-13-27-48)54(72-60)44-65-37-46-22-8-1-9-23-46/h1-35,53-60H,36-45H2/t53-,54-,55-,56-,57+,58-,59+,60-,61+/m1/s1
• InChIKey: LPDZHMJDTYTKCC-FZPLEZICSA-N
• XLogP: 11.49
• TPSA: 141.06 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	998.19
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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 (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?

The IUPAC name of (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 122211491) is (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?

The canonical SMILES for (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is [N-]=[N+]=NC[C@H]1O[C@@](COCc2ccccc2)(O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?

The InChIKey is LPDZHMJDTYTKCC-FZPLEZICSA-N. The full InChI is InChI=1S/C61H63N3O10/c62-64-63-36-53-56(68-40-49-28-14-4-15-29-49)59(71-43-52-34-20-7-21-35-52)61(73-53,45-66-38-47-24-10-2-11-25-47)74-60-58(70-42-51-32-18-6-19-33-51)57(69-41-50-30-16-5-17-31-50)55(67-39-48-26-12-3-13-27-48)54(72-60)44-65-37-46-22-8-1-9-23-46/h1-35,53-60H,36-45H2/t53-,54-,55-,56-,57+,58-,59+,60-,61+/m1/s1.

What are the key properties of (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?

(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 998.19 g/mol, XLogP of 11.49, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-5-(azidomethyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 122211491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).