2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione

C109H110FNO21 — CID 140560783

IUPAC2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1[C@H](OCC2O[C@H](OC3[C@@H](OCC4O[C@H](F)C(OCc5ccccc5)[C@@H](O)[C@@H]4OCc4ccccc4)OC(COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)C(OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C109H110FNO21/c110-104-99(122-67-82-50-26-8-27-51-82)93(112)94(117-62-77-40-16-3-17-41-77)90(128-104)73-127-108-103(101(124-69-84-54-30-10-31-55-84)96(119-64-79-44-20-5-21-45-79)89(130-108)72-116-61-76-38-14-2-15-39-76)132-109-102(125-70-85-56-32-11-33-57-85)100(123-68-83-52-28-9-29-53-83)97(120-65-80-46-22-6-23-47-80)91(131-109)74-126-107-92(111-105(113)86-58-34-35-59-87(86)106(111)114)98(121-66-81-48-24-7-25-49-81)95(118-63-78-42-18-4-19-43-78)88(129-107)71-115-60-75-36-12-1-13-37-75/h1-59,88-104,107-109,112H,60-74H2/t88?,89?,90?,91?,92?,93-,94+,95+,96+,97+,98+,99?,100-,101-,102?,103?,104-,107+,108-,109+/m0/s1
InChIKeyXDYQVKVCSJVJGF-GRBCEAPISA-N
MW1789.06 g/mol
LogP17.00
Rot. Bonds44

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

2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione (PubChem CID 140560783) has the molecular formula C109H110FNO21 and a molecular weight of 1789.06 g/mol. Its IUPAC name is 2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione
PubChem CID140560783
Molecular FormulaC109H110FNO21
Molecular Weight1789.06 g/mol
Exact Mass1787.76
IUPAC Name2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1[C@H](OCC2O[C@H](OC3[C@@H](OCC4O[C@H](F)C(OCc5ccccc5)[C@@H](O)[C@@H]4OCc4ccccc4)OC(COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)C(OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C109H110FNO21/c110-104-99(122-67-82-50-26-8-27-51-82)93(112)94(117-62-77-40-16-3-17-41-77)90(128-104)73-127-108-103(101(124-69-84-54-30-10-31-55-84)96(119-64-79-44-20-5-21-45-79)89(130-108)72-116-61-76-38-14-2-15-39-76)132-109-102(125-70-85-56-32-11-33-57-85)100(123-68-83-52-28-9-29-53-83)97(120-65-80-46-22-6-23-47-80)91(131-109)74-126-107-92(111-105(113)86-58-34-35-59-87(86)106(111)114)98(121-66-81-48-24-7-25-49-81)95(118-63-78-42-18-4-19-43-78)88(129-107)71-115-60-75-36-12-1-13-37-75/h1-59,88-104,107-109,112H,60-74H2/t88?,89?,90?,91?,92?,93-,94+,95+,96+,97+,98+,99?,100-,101-,102?,103?,104-,107+,108-,109+/m0/s1
InChIKeyXDYQVKVCSJVJGF-GRBCEAPISA-N
XLogP17.00
TPSA223.75 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds44
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.06
LogP ≤ 517.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione (CID 140560783) is 2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1[C@H](OCC2O[C@H](OC3[C@@H](OCC4O[C@H](F)C(OCc5ccccc5)[C@@H](O)[C@@H]4OCc4ccccc4)OC(COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)C(OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione?
The InChIKey is XDYQVKVCSJVJGF-GRBCEAPISA-N. The full InChI is InChI=1S/C109H110FNO21/c110-104-99(122-67-82-50-26-8-27-51-82)93(112)94(117-62-77-40-16-3-17-41-77)90(128-104)73-127-108-103(101(124-69-84-54-30-10-31-55-84)96(119-64-79-44-20-5-21-45-79)89(130-108)72-116-61-76-38-14-2-15-39-76)132-109-102(125-70-85-56-32-11-33-57-85)100(123-68-83-52-28-9-29-53-83)97(120-65-80-46-22-6-23-47-80)91(131-109)74-126-107-92(111-105(113)86-58-34-35-59-87(86)106(111)114)98(121-66-81-48-24-7-25-49-81)95(118-63-78-42-18-4-19-43-78)88(129-107)71-115-60-75-36-12-1-13-37-75/h1-59,88-104,107-109,112H,60-74H2/t88?,89?,90?,91?,92?,93-,94+,95+,96+,97+,98+,99?,100-,101-,102?,103?,104-,107+,108-,109+/m0/s1.
What are the key properties of 2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione?
2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione has a molecular weight of 1789.06 g/mol, XLogP of 17.00, 44 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[[(3S,4S,6R)-6-fluoro-4-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 140560783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).