[4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate

C88H97F2O19P — CID 134221745

IUPAC[4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1C(COCc2ccccc2)OC(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COP(OCc2ccccc2)OC2C(COCc3ccccc3)OC(OCC(OCc3ccccc3)C(OCc3ccccc3)C(CO)OCc3ccccc3)C2F)OCc2ccccc2)C1F
InChIInChI=1S/C88H97F2O19P/c1-64(92)47-48-80(93)108-85-78(59-94-50-65-29-11-2-12-30-65)106-87(81(85)89)102-62-76(98-54-69-37-19-6-20-38-69)84(101-57-72-43-25-9-26-44-72)77(99-55-70-39-21-7-22-40-70)63-105-110(104-58-73-45-27-10-28-46-73)109-86-79(60-95-51-66-31-13-3-14-32-66)107-88(82(86)90)103-61-75(97-53-68-35-17-5-18-36-68)83(100-56-71-41-23-8-24-42-71)74(49-91)96-52-67-33-15-4-16-34-67/h2-46,74-79,81-88,91H,47-63H2,1H3
InChIKeyKRPQGHPXKGKKIL-UHFFFAOYSA-N
MW1527.69 g/mol
LogP15.21
Rot. Bonds49

About [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate

[4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate (PubChem CID 134221745) has the molecular formula C88H97F2O19P and a molecular weight of 1527.69 g/mol. Its IUPAC name is [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
PubChem CID134221745
Molecular FormulaC88H97F2O19P
Molecular Weight1527.69 g/mol
Exact Mass1526.63
IUPAC Name[4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1C(COCc2ccccc2)OC(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COP(OCc2ccccc2)OC2C(COCc3ccccc3)OC(OCC(OCc3ccccc3)C(OCc3ccccc3)C(CO)OCc3ccccc3)C2F)OCc2ccccc2)C1F
InChIInChI=1S/C88H97F2O19P/c1-64(92)47-48-80(93)108-85-78(59-94-50-65-29-11-2-12-30-65)106-87(81(85)89)102-62-76(98-54-69-37-19-6-20-38-69)84(101-57-72-43-25-9-26-44-72)77(99-55-70-39-21-7-22-40-70)63-105-110(104-58-73-45-27-10-28-46-73)109-86-79(60-95-51-66-31-13-3-14-32-66)107-88(82(86)90)103-61-75(97-53-68-35-17-5-18-36-68)83(100-56-71-41-23-8-24-42-71)74(49-91)96-52-67-33-15-4-16-34-67/h2-46,74-79,81-88,91H,47-63H2,1H3
InChIKeyKRPQGHPXKGKKIL-UHFFFAOYSA-N
XLogP15.21
TPSA202.05 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds49
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.69
LogP ≤ 515.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate with MolForge

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Related Compounds

[5-[5-[[5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-4-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-4-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
CID 134221723
[5-[5-[5-aminopentoxy(phenylmethoxy)phosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-4-fluoro-2-(phenylmethoxymethyl)oxolan-3-yl] benzyl [5-[3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] phosphite
CID 134222076
[5-[5-[2-[[5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-4-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphoryl]propan-2-yloxy]-2,3,4-tris(phenylmethoxy)pentoxy]-4-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
CID 138648679
[(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite
CID 11422362
[(2R,3S,4S,5R,6R)-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 70185856
[(3R,4S,5S,6R)-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 102459896
[(2R,3S,4S,5S,6R)-3-fluoro-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 25228408
(4aR,6R,7S)-7-fluoro-2,2-dimethyl-6-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine;(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-ol
CID 158866324
(2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane
CID 14211901
[(2S,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate
CID 101364535
[(2R,3S,4S,5R,6R)-2-acetyloxy-6-[(1S)-1,2-bis(phenylmethoxy)ethyl]-3,5-bis(phenylmethoxy)oxan-4-yl] 4-oxopentanoate
CID 10865423
[3-[5-benzoyloxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-(4-oxopentanoyloxy)-5-phenylmethoxy-6-[(2R,5S)-2,5,6-tribenzoyloxy-4-methylhexan-3-yl]oxyoxan-2-yl]methyl benzoate
CID 156559282

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate?
The IUPAC name of [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate (CID 134221745) is [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate.
What is the SMILES notation for [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate?
The canonical SMILES for [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate is CC(=O)CCC(=O)OC1C(COCc2ccccc2)OC(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COP(OCc2ccccc2)OC2C(COCc3ccccc3)OC(OCC(OCc3ccccc3)C(OCc3ccccc3)C(CO)OCc3ccccc3)C2F)OCc2ccccc2)C1F.
What is the InChIKey of [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate?
The InChIKey is KRPQGHPXKGKKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H97F2O19P/c1-64(92)47-48-80(93)108-85-78(59-94-50-65-29-11-2-12-30-65)106-87(81(85)89)102-62-76(98-54-69-37-19-6-20-38-69)84(101-57-72-43-25-9-26-44-72)77(99-55-70-39-21-7-22-40-70)63-105-110(104-58-73-45-27-10-28-46-73)109-86-79(60-95-51-66-31-13-3-14-32-66)107-88(82(86)90)103-61-75(97-53-68-35-17-5-18-36-68)83(100-56-71-41-23-8-24-42-71)74(49-91)96-52-67-33-15-4-16-34-67/h2-46,74-79,81-88,91H,47-63H2,1H3.
What are the key properties of [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate?
[4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate has a molecular weight of 1527.69 g/mol, XLogP of 15.21, 49 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-5-[5-[[4-fluoro-5-[5-hydroxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl]oxy-phenylmethoxyphosphanyl]oxy-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 134221745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).