[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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 134998688

IUPAC[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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)OC1C(COCc2ccccc2)OC(OC2C(COCc3ccccc3)OC(OC3C(COCc4ccccc4)OC(OC4C(COCc5ccccc5)OC(F)C(N5C(=O)c6ccccc6C5=O)C4OCc4ccccc4)C(N4C(=O)c5ccccc5C4=O)C3OCc3ccccc3)C(N3C(=O)c4ccccc4C3=O)C2OCc2ccccc2)C(N2C(=O)c3ccccc3C2=O)C1OCc1ccccc1
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
InChIKeyRZCRGCOEKGEEKM-UHFFFAOYSA-N
MW1948.08 g/mol
LogP14.81
Rot. Bonds39

About [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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

[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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 134998688) has the molecular formula C114H103FN4O25 and a molecular weight of 1948.08 g/mol. Its IUPAC name is [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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 CID134998688
Molecular FormulaC114H103FN4O25
Molecular Weight1948.08 g/mol
Exact Mass1946.69
IUPAC Name[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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)OC1C(COCc2ccccc2)OC(OC2C(COCc3ccccc3)OC(OC3C(COCc4ccccc4)OC(OC4C(COCc5ccccc5)OC(F)C(N5C(=O)c6ccccc6C5=O)C4OCc4ccccc4)C(N4C(=O)c5ccccc5C4=O)C3OCc3ccccc3)C(N3C(=O)c4ccccc4C3=O)C2OCc2ccccc2)C(N2C(=O)c3ccccc3C2=O)C1OCc1ccccc1
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
InChIKeyRZCRGCOEKGEEKM-UHFFFAOYSA-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 [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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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Launch Full Analysis

Related Compounds

methyl (4aR,6R,7R,8S,8aS)-7-acetyloxy-8-benzoyloxy-6-[4-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxycyclohexyl]oxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylate
CID 134140925
allyl O-(3,4,6-tri-O-benzyl-2-deoxy-2-phthalimido-beta-Glup)(1-4)-O-(3,6-di-O-allyl-2-O-benzyl-beta-Manp)(1-4)-O-3,6-di-O-benzyl-2-deoxy-2-phthalimido-beta-Glup(1-4)-3-O-benzyl-2-deoxy-6-O-4-methoxyphenyl-2-phthalimido-beta-Glup
CID 16131377
[(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] acetate
CID 134878600
[(2R,3S,4S,5R,6S)-5-acetyloxy-3,4-bis[(2-chloroacetyl)oxy]-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 134937115
[(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
[5-(1,3-Dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-fluoro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 134998686
[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[N-phenyl-C-(trifluoromethyl)carbonimidoyl]oxyoxan-3-yl] acetate
CID 101470677
[(3S,4S,6R)-3,4,5-tribenzoyloxy-6-[[(3R,4S,6R)-6-[(2R,4S,5R)-2-[(3R,4S,6R)-2-[[(2S,4S,5R)-3-[(2R,4S,5R)-6-[[(2R,4R,5S)-3-(1,3-dioxoisoindol-2-yl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-6-fluoro-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl benzoate
CID 140560781
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
[(3S,4S,6R)-3,4,5-tribenzoyloxy-6-[[(3R,4S,6R)-6-[(2R,4S,5R)-2-[(3S,4S,6R)-2-[[(2S,4S,5R)-3-[(2R,4S,5R)-6-[[(2R,4R,5S)-3-(1,3-dioxoisoindol-2-yl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-6-fluoro-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl benzoate
CID 140560784
[(3R,4S,6R)-2-[[(2S,4S,5R)-3-[(2R,4S,5R)-6-[[(2R,4R,5S)-3-(1,3-dioxoisoindol-2-yl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-6-fluoro-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 140560786
5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol;2-benzofuran-1,3-dione;2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]isoindole-1,3-dione;bis(N-[2-[2-[2-[[5-(1,3-dioxoisoindol-2-yl)-3,4-dihydroxy-6-methoxyoxan-2-yl]methoxy]propan-2-yloxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide);2,2,2-trifluoro-N-[2-[2-(2-methoxypropan-2-yloxy)ethoxy]ethyl]acetamide
CID 159797459

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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 [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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 134998688) is [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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 [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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 [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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)OC1C(COCc2ccccc2)OC(OC2C(COCc3ccccc3)OC(OC3C(COCc4ccccc4)OC(OC4C(COCc5ccccc5)OC(F)C(N5C(=O)c6ccccc6C5=O)C4OCc4ccccc4)C(N4C(=O)c5ccccc5C4=O)C3OCc3ccccc3)C(N3C(=O)c4ccccc4C3=O)C2OCc2ccccc2)C(N2C(=O)c3ccccc3C2=O)C1OCc1ccccc1.
What is the InChIKey of [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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-UHFFFAOYSA-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.
What are the key properties of [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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?
[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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 [5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-[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 134998688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).