[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

C90H103O21P — CID 134221723

IUPAC[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
SMILESCOC1C(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COP(OCc2ccccc2)OC2C(COCc3ccccc3)OC(OCC(OCc3ccccc3)C(OCc3ccccc3)C(CO)OCc3ccccc3)C2OC)OCc2ccccc2)OC(COCc2ccccc2)C1OC(=O)CCC(C)=O
InChIInChI=1S/C90H103O21P/c1-66(92)49-50-82(93)110-85-80(61-96-52-67-31-13-4-14-32-67)108-89(87(85)94-2)104-64-78(100-56-71-39-21-8-22-40-71)84(103-59-74-45-27-11-28-46-74)79(101-57-72-41-23-9-24-42-72)65-107-112(106-60-75-47-29-12-30-48-75)111-86-81(62-97-53-68-33-15-5-16-34-68)109-90(88(86)95-3)105-63-77(99-55-70-37-19-7-20-38-70)83(102-58-73-43-25-10-26-44-73)76(51-91)98-54-69-35-17-6-18-36-69/h4-48,76-81,83-91H,49-65H2,1-3H3
InChIKeyPWPVLFCHSFMYDW-UHFFFAOYSA-N
MW1551.77 g/mol
LogP14.56
Rot. Bonds51

About [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

[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 (PubChem CID 134221723) has the molecular formula C90H103O21P and a molecular weight of 1551.77 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID134221723
Molecular FormulaC90H103O21P
Molecular Weight1551.77 g/mol
Exact Mass1550.67
IUPAC Name[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
SMILESCOC1C(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COP(OCc2ccccc2)OC2C(COCc3ccccc3)OC(OCC(OCc3ccccc3)C(OCc3ccccc3)C(CO)OCc3ccccc3)C2OC)OCc2ccccc2)OC(COCc2ccccc2)C1OC(=O)CCC(C)=O
InChIInChI=1S/C90H103O21P/c1-66(92)49-50-82(93)110-85-80(61-96-52-67-31-13-4-14-32-67)108-89(87(85)94-2)104-64-78(100-56-71-39-21-8-22-40-71)84(103-59-74-45-27-11-28-46-74)79(101-57-72-41-23-9-24-42-72)65-107-112(106-60-75-47-29-12-30-48-75)111-86-81(62-97-53-68-33-15-5-16-34-68)109-90(88(86)95-3)105-63-77(99-55-70-37-19-7-20-38-70)83(102-58-73-43-25-10-26-44-73)76(51-91)98-54-69-35-17-6-18-36-69/h4-48,76-81,83-91H,49-65H2,1-3H3
InChIKeyPWPVLFCHSFMYDW-UHFFFAOYSA-N
XLogP14.56
TPSA220.51 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds51
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.77
LogP ≤ 514.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

[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
[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
[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
benzyl (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-4-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3S,4S,5R,6R)-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenylmethoxycarbonyloxan-3-yl]oxy-5-phenylmethoxyoxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4-dimethoxy-5-(4-oxopentanoyloxy)oxan-2-yl]oxy-3,4-dimethoxyoxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate
CID 10749107
(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
[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-methoxy-4-[(2R)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(4-oxopentanoyloxy)oxan-2-yl]methyl 4-oxopentanoate
CID 51350825
(2R,4S,5R)-2-ethyl-4-methoxy-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-3-phenylmethoxyoxolane;(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-ol
CID 159078518
[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
[(2S,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate
CID 101364535
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COC1C(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COP(OCc2ccccc2)OC2C(COCc3ccccc3)OC(OCC(OCc3ccccc3)C(OCc3ccccc3)C(CO)OCc3ccccc3)C2OC)OCc2ccccc2)OC(COCc2ccccc2)C1OC(=O)CCC(C)=O.
What is the InChIKey of [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?
The InChIKey is PWPVLFCHSFMYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H103O21P/c1-66(92)49-50-82(93)110-85-80(61-96-52-67-31-13-4-14-32-67)108-89(87(85)94-2)104-64-78(100-56-71-39-21-8-22-40-71)84(103-59-74-45-27-11-28-46-74)79(101-57-72-41-23-9-24-42-72)65-107-112(106-60-75-47-29-12-30-48-75)111-86-81(62-97-53-68-33-15-5-16-34-68)109-90(88(86)95-3)105-63-77(99-55-70-37-19-7-20-38-70)83(102-58-73-43-25-10-26-44-73)76(51-91)98-54-69-35-17-6-18-36-69/h4-48,76-81,83-91H,49-65H2,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 1551.77 g/mol, XLogP of 14.56, 51 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 134221723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).