2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione

C61H64FNO15 — CID 10920234

About 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione

2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione (PubChem CID 10920234) has the molecular formula C61H64FNO15 and a molecular weight of 1070.17 g/mol. Its IUPAC name is 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione
• PubChem CID: 10920234
• Molecular Formula: C61H64FNO15
• Molecular Weight: 1070.17 g/mol
• Exact Mass: 1069.43
• IUPAC Name: 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione
• SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3O[C@H](COCc4ccccc4)[C@H](O)[C@H](O)[C@H]3O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H](F)O[C@@H]2COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C61H64FNO15/c1-38-52(71-33-41-23-11-4-12-24-41)55(72-34-42-25-13-5-14-26-42)56(73-35-43-27-15-6-16-28-43)61(74-38)77-53-47(37-70-32-40-21-9-3-10-22-40)75-57(62)48(63-58(67)44-29-17-18-30-45(44)59(63)68)54(53)78-60-51(66)50(65)49(64)46(76-60)36-69-31-39-19-7-2-8-20-39/h2-30,38,46-57,60-61,64-66H,31-37H2,1H3/t38-,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,56-,57+,60-,61-/m0/s1
• InChIKey: YGUPBZSLWKUOLC-OYVJUXKQSA-N
• XLogP: 6.86
• TPSA: 190.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1070.17
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione?

The IUPAC name of 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione (CID 10920234) is 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione?

The canonical SMILES for 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione is C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3O[C@H](COCc4ccccc4)[C@H](O)[C@H](O)[C@H]3O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H](F)O[C@@H]2COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione?

The InChIKey is YGUPBZSLWKUOLC-OYVJUXKQSA-N. The full InChI is InChI=1S/C61H64FNO15/c1-38-52(71-33-41-23-11-4-12-24-41)55(72-34-42-25-13-5-14-26-42)56(73-35-43-27-15-6-16-28-43)61(74-38)77-53-47(37-70-32-40-21-9-3-10-22-40)75-57(62)48(63-58(67)44-29-17-18-30-45(44)59(63)68)54(53)78-60-51(66)50(65)49(64)46(76-60)36-69-31-39-19-7-2-8-20-39/h2-30,38,46-57,60-61,64-66H,31-37H2,1H3/t38-,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,56-,57+,60-,61-/m0/s1.

What are the key properties of 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione?

2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione has a molecular weight of 1070.17 g/mol, XLogP of 6.86, 22 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,3R,4R,5S,6R)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 10920234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).