[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

C93H109O22P — CID 138648679

IUPAC[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
SMILESCOC1C(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COC(C)(C)P(=O)(OCc2ccccc2)OC2C(COCc3ccccc3)OC(OCC(OCc3ccccc3)C(OCc3ccccc3)C(CO)OCc3ccccc3)C2OC)OCc2ccccc2)OC(COCc2ccccc2)C1OC(=O)CCC(C)=O
InChIInChI=1S/C93H109O22P/c1-68(95)51-52-84(96)114-87-82(63-100-54-69-33-15-6-16-34-69)112-91(89(87)98-4)108-66-80(104-58-73-41-23-10-24-42-73)86(107-61-76-47-29-13-30-48-76)81(105-59-74-43-25-11-26-44-74)67-110-93(2,3)116(97,111-62-77-49-31-14-32-50-77)115-88-83(64-101-55-70-35-17-7-18-36-70)113-92(90(88)99-5)109-65-79(103-57-72-39-21-9-22-40-72)85(106-60-75-45-27-12-28-46-75)78(53-94)102-56-71-37-19-8-20-38-71/h6-50,78-83,85-92,94H,51-67H2,1-5H3
InChIKeyFTYDDHLGIMGXSO-UHFFFAOYSA-N
MW1609.85 g/mol
LogP15.27
Rot. Bonds52

About [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

[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 (PubChem CID 138648679) has the molecular formula C93H109O22P and a molecular weight of 1609.85 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID138648679
Molecular FormulaC93H109O22P
Molecular Weight1609.85 g/mol
Exact Mass1608.71
IUPAC Name[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
SMILESCOC1C(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COC(C)(C)P(=O)(OCc2ccccc2)OC2C(COCc3ccccc3)OC(OCC(OCc3ccccc3)C(OCc3ccccc3)C(CO)OCc3ccccc3)C2OC)OCc2ccccc2)OC(COCc2ccccc2)C1OC(=O)CCC(C)=O
InChIInChI=1S/C93H109O22P/c1-68(95)51-52-84(96)114-87-82(63-100-54-69-33-15-6-16-34-69)112-91(89(87)98-4)108-66-80(104-58-73-41-23-10-24-42-73)86(107-61-76-47-29-13-30-48-76)81(105-59-74-43-25-11-26-44-74)67-110-93(2,3)116(97,111-62-77-49-31-14-32-50-77)115-88-83(64-101-55-70-35-17-7-18-36-70)113-92(90(88)99-5)109-65-79(103-57-72-39-21-9-22-40-72)85(106-60-75-45-27-12-28-46-75)78(53-94)102-56-71-37-19-8-20-38-71/h6-50,78-83,85-92,94H,51-67H2,1-5H3
InChIKeyFTYDDHLGIMGXSO-UHFFFAOYSA-N
XLogP15.27
TPSA237.58 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds52
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.85
LogP ≤ 515.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze [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 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
[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
[2-dibutoxyphosphoryloxy-3-(2,2-dimethylpropanoyloxy)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl] 4-oxopentanoate
CID 85404407
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
[(2S,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate
CID 101364535
[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
[(2R,3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-hydroxy-2-(phenylmethoxymethyl)oxan-3-yl] 4-oxopentanoate
CID 44517436
[(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
[(2S,3S,4R,5S)-5-azido-2,3,4-tris(phenylmethoxy)-6-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexyl] 2,2-dimethylpropanoate
CID 54589947
[(2R,3S,4R,5R,6R)-3-acetyloxy-2-(phenylmethoxymethyl)-6-prop-2-enoxy-5-[(2,2,2-trichloroacetyl)amino]oxan-4-yl] 4-oxopentanoate
CID 73427297
(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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COC1C(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COC(C)(C)P(=O)(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-[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?
The InChIKey is FTYDDHLGIMGXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H109O22P/c1-68(95)51-52-84(96)114-87-82(63-100-54-69-33-15-6-16-34-69)112-91(89(87)98-4)108-66-80(104-58-73-41-23-10-24-42-73)86(107-61-76-47-29-13-30-48-76)81(105-59-74-43-25-11-26-44-74)67-110-93(2,3)116(97,111-62-77-49-31-14-32-50-77)115-88-83(64-101-55-70-35-17-7-18-36-70)113-92(90(88)99-5)109-65-79(103-57-72-39-21-9-22-40-72)85(106-60-75-45-27-12-28-46-75)78(53-94)102-56-71-37-19-8-20-38-71/h6-50,78-83,85-92,94H,51-67H2,1-5H3.
What are the key properties of [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?
[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 has a molecular weight of 1609.85 g/mol, XLogP of 15.27, 52 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 138648679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).