(2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran

C54H55NO11 — CID 11228346

About (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran

(2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran (PubChem CID 11228346) has the molecular formula C54H55NO11 and a molecular weight of 894.03 g/mol. Its IUPAC name is (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran.

Molecular Properties

• Compound Name: (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran
• PubChem CID: 11228346
• Molecular Formula: C54H55NO11
• Molecular Weight: 894.03 g/mol
• Exact Mass: 893.38
• IUPAC Name: (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran
• SMILES: O=[N+]([O-])C1=CO[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C54H55NO11/c56-55(57)46-37-60-47(38-58-31-40-19-7-1-8-20-40)50(61-33-42-23-11-3-12-24-42)49(46)66-54-53(64-36-45-29-17-6-18-30-45)52(63-35-44-27-15-5-16-28-44)51(62-34-43-25-13-4-14-26-43)48(65-54)39-59-32-41-21-9-2-10-22-41/h1-30,37,47-54H,31-36,38-39H2/t47-,48-,49-,50+,51+,52+,53-,54+/m1/s1
• InChIKey: JXSSYSJVYVLYGU-VXDSGYJDSA-N
• XLogP: 9.39
• TPSA: 126.21 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 23
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	894.03
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran?

The IUPAC name of (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran (CID 11228346) is (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran.

What is the SMILES notation for (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran?

The canonical SMILES for (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran is O=[N+]([O-])C1=CO[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran?

The InChIKey is JXSSYSJVYVLYGU-VXDSGYJDSA-N. The full InChI is InChI=1S/C54H55NO11/c56-55(57)46-37-60-47(38-58-31-40-19-7-1-8-20-40)50(61-33-42-23-11-3-12-24-42)49(46)66-54-53(64-36-45-29-17-6-18-30-45)52(63-35-44-27-15-5-16-28-44)51(62-34-43-25-13-4-14-26-43)48(65-54)39-59-32-41-21-9-2-10-22-41/h1-30,37,47-54H,31-36,38-39H2/t47-,48-,49-,50+,51+,52+,53-,54+/m1/s1.

What are the key properties of (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran?

(2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran has a molecular weight of 894.03 g/mol, XLogP of 9.39, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R)-5-nitro-3-phenylmethoxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11228346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).