[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate

C114H103FN4O25 — CID 134938319

IUPAC[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H](O[C@H]3[C@H](OCc4ccccc4)[C@@H](N4C(=O)c5ccccc5C4=O)[C@H](O[C@H]4[C@H](OCc5ccccc5)[C@@H](N5C(=O)c6ccccc6C5=O)[C@H](F)O[C@@H]4COCc4ccccc4)O[C@@H]3COCc3ccccc3)O[C@@H]2COCc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C114H103FN4O25/c1-70(120)137-95-88(67-130-59-72-36-12-3-13-37-72)139-112(92(100(95)134-63-76-44-20-7-21-45-76)117-106(123)81-52-28-29-53-82(81)107(117)124)143-97-90(69-132-61-74-40-16-5-17-41-74)141-114(94(102(97)136-65-78-48-24-9-25-49-78)119-110(127)85-56-32-33-57-86(85)111(119)128)144-98-89(68-131-60-73-38-14-4-15-39-73)140-113(93(101(98)135-64-77-46-22-8-23-47-77)118-108(125)83-54-30-31-55-84(83)109(118)126)142-96-87(66-129-58-71-34-10-2-11-35-71)138-103(115)91(99(96)133-62-75-42-18-6-19-43-75)116-104(121)79-50-26-27-51-80(79)105(116)122/h2-57,87-103,112-114H,58-69H2,1H3/t87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,112+,113+,114+/m1/s1
InChIKeyRZCRGCOEKGEEKM-BFIRPZSWSA-N
MW1948.08 g/mol
LogP14.81
Rot. Bonds39

About [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate

[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate (PubChem CID 134938319) has the molecular formula C114H103FN4O25 and a molecular weight of 1948.08 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate
PubChem CID134938319
Molecular FormulaC114H103FN4O25
Molecular Weight1948.08 g/mol
Exact Mass1946.69
IUPAC Name[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H](O[C@H]3[C@H](OCc4ccccc4)[C@@H](N4C(=O)c5ccccc5C4=O)[C@H](O[C@H]4[C@H](OCc5ccccc5)[C@@H](N5C(=O)c6ccccc6C5=O)[C@H](F)O[C@@H]4COCc4ccccc4)O[C@@H]3COCc3ccccc3)O[C@@H]2COCc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C114H103FN4O25/c1-70(120)137-95-88(67-130-59-72-36-12-3-13-37-72)139-112(92(100(95)134-63-76-44-20-7-21-45-76)117-106(123)81-52-28-29-53-82(81)107(117)124)143-97-90(69-132-61-74-40-16-5-17-41-74)141-114(94(102(97)136-65-78-48-24-9-25-49-78)119-110(127)85-56-32-33-57-86(85)111(119)128)144-98-89(68-131-60-73-38-14-4-15-39-73)140-113(93(101(98)135-64-77-46-22-8-23-47-77)118-108(125)83-54-30-31-55-84(83)109(118)126)142-96-87(66-129-58-71-34-10-2-11-35-71)138-103(115)91(99(96)133-62-75-42-18-6-19-43-75)116-104(121)79-50-26-27-51-80(79)105(116)122/h2-57,87-103,112-114H,58-69H2,1H3/t87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,112+,113+,114+/m1/s1
InChIKeyRZCRGCOEKGEEKM-BFIRPZSWSA-N
XLogP14.81
TPSA314.27 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001948.08
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate?
The IUPAC name of [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate (CID 134938319) is [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate is CC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H](O[C@H]3[C@H](OCc4ccccc4)[C@@H](N4C(=O)c5ccccc5C4=O)[C@H](O[C@H]4[C@H](OCc5ccccc5)[C@@H](N5C(=O)c6ccccc6C5=O)[C@H](F)O[C@@H]4COCc4ccccc4)O[C@@H]3COCc3ccccc3)O[C@@H]2COCc2ccccc2)O[C@@H]1COCc1ccccc1.
What is the InChIKey of [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate?
The InChIKey is RZCRGCOEKGEEKM-BFIRPZSWSA-N. The full InChI is InChI=1S/C114H103FN4O25/c1-70(120)137-95-88(67-130-59-72-36-12-3-13-37-72)139-112(92(100(95)134-63-76-44-20-7-21-45-76)117-106(123)81-52-28-29-53-82(81)107(117)124)143-97-90(69-132-61-74-40-16-5-17-41-74)141-114(94(102(97)136-65-78-48-24-9-25-49-78)119-110(127)85-56-32-33-57-86(85)111(119)128)144-98-89(68-131-60-73-38-14-4-15-39-73)140-113(93(101(98)135-64-77-46-22-8-23-47-77)118-108(125)83-54-30-31-55-84(83)109(118)126)142-96-87(66-129-58-71-34-10-2-11-35-71)138-103(115)91(99(96)133-62-75-42-18-6-19-43-75)116-104(121)79-50-26-27-51-80(79)105(116)122/h2-57,87-103,112-114H,58-69H2,1H3/t87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,112+,113+,114+/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate?
[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate has a molecular weight of 1948.08 g/mol, XLogP of 14.81, 39 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 134938319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).