[3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate

C185H244O81S5 — CID 59601951

IUPAC[3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate
SMILESCOCCOCCOCC(=O)OCC(O)COCC(COC(COCC(O)COCC(COCC(COC(=O)COCCOCCOC)OCC(O)COC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)OCC(COC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)OC(=O)COCCOCCOC)COCC(C)(COCC(O)COCC(COCC(COC(=O)COC)OC(=O)COCCOCCOC)OC(=O)COCCOCCOC)COCC(COCC(COC(=O)COCCOCCOC)OC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)OC(=O)COCCOCCOC)OCC(COCC(COC(=O)COCCOCCOC)OC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)CC(=O)COc1ccc2sc3ccccc3c(=O)c2c1
InChIInChI=1S/C185H244O81S5/c1-185(123-242-85-129(188)83-238-96-141(261-174(198)115-230-69-61-222-53-45-213-6)97-240-100-144(106-257-167(191)110-217-10)263-176(200)117-232-71-63-224-55-47-215-8,125-244-102-142(262-175(199)116-231-70-62-223-54-46-214-7)98-241-101-145(108-259-171(195)114-229-68-60-221-52-44-212-5)265-179(203)122-253-136-35-40-166-156(78-136)184(208)151-25-15-20-30-161(151)271-166)124-243-95-138(248-103-139(93-237-84-130(189)88-254-168(192)111-226-65-57-218-49-41-209-2)245-80-126(73-127(186)86-246-132-31-36-162-152(74-132)180(204)147-21-11-16-26-157(147)267-162)79-234-99-143(107-258-170(194)113-228-67-59-220-51-43-211-4)264-178(202)121-252-135-34-39-165-155(77-135)183(207)150-24-14-19-29-160(150)270-165)91-236-82-128(187)81-235-90-137(249-105-146(266-177(201)118-233-72-64-225-56-48-216-9)109-260-173(197)120-251-134-33-38-164-154(76-134)182(206)149-23-13-18-28-159(149)269-164)92-239-94-140(104-256-169(193)112-227-66-58-219-50-42-210-3)247-87-131(190)89-255-172(196)119-250-133-32-37-163-153(75-133)181(205)148-22-12-17-27-158(148)268-163/h11-40,74-78,126,128-131,137-146,187-190H,41-73,79-125H2,1-10H3
InChIKeyBIJZOUDWJQNEQC-UHFFFAOYSA-N
MW3924.24 g/mol
LogP9.13
Rot. Bonds159

About [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate

[3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate (PubChem CID 59601951) has the molecular formula C185H244O81S5 and a molecular weight of 3924.24 g/mol. Its IUPAC name is [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate.

Molecular Properties

Compound Name[3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate
PubChem CID59601951
Molecular FormulaC185H244O81S5
Molecular Weight3924.24 g/mol
Exact Mass3921.36
IUPAC Name[3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate
SMILESCOCCOCCOCC(=O)OCC(O)COCC(COC(COCC(O)COCC(COCC(COC(=O)COCCOCCOC)OCC(O)COC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)OCC(COC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)OC(=O)COCCOCCOC)COCC(C)(COCC(O)COCC(COCC(COC(=O)COC)OC(=O)COCCOCCOC)OC(=O)COCCOCCOC)COCC(COCC(COC(=O)COCCOCCOC)OC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)OC(=O)COCCOCCOC)OCC(COCC(COC(=O)COCCOCCOC)OC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)CC(=O)COc1ccc2sc3ccccc3c(=O)c2c1
InChIInChI=1S/C185H244O81S5/c1-185(123-242-85-129(188)83-238-96-141(261-174(198)115-230-69-61-222-53-45-213-6)97-240-100-144(106-257-167(191)110-217-10)263-176(200)117-232-71-63-224-55-47-215-8,125-244-102-142(262-175(199)116-231-70-62-223-54-46-214-7)98-241-101-145(108-259-171(195)114-229-68-60-221-52-44-212-5)265-179(203)122-253-136-35-40-166-156(78-136)184(208)151-25-15-20-30-161(151)271-166)124-243-95-138(248-103-139(93-237-84-130(189)88-254-168(192)111-226-65-57-218-49-41-209-2)245-80-126(73-127(186)86-246-132-31-36-162-152(74-132)180(204)147-21-11-16-26-157(147)267-162)79-234-99-143(107-258-170(194)113-228-67-59-220-51-43-211-4)264-178(202)121-252-135-34-39-165-155(77-135)183(207)150-24-14-19-29-160(150)270-165)91-236-82-128(187)81-235-90-137(249-105-146(266-177(201)118-233-72-64-225-56-48-216-9)109-260-173(197)120-251-134-33-38-164-154(76-134)182(206)149-23-13-18-28-159(149)269-164)92-239-94-140(104-256-169(193)112-227-66-58-219-50-42-210-3)247-87-131(190)89-255-172(196)119-250-133-32-37-163-153(75-133)181(205)148-22-12-17-27-158(148)268-163/h11-40,74-78,126,128-131,137-146,187-190H,41-73,79-125H2,1-10H3
InChIKeyBIJZOUDWJQNEQC-UHFFFAOYSA-N
XLogP9.13
TPSA940.59 Ų
H-Bond Donors4
H-Bond Acceptors86
Rotatable Bonds159
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003924.24
LogP ≤ 59.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1086

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate with MolForge

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Related Compounds

4-[2-(9-Oxothioxanthen-2-yl)oxyacetyl]oxybutyl 2-(9-oxothioxanthen-2-yl)oxyacetate
CID 59660048
3-[2-[2,2-Bis[2-[2-[2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxyethoxy]ethoxymethyl]-3-[2-[3-[2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxypropoxy]ethoxy]propoxy]ethoxy]propyl 2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetate
CID 89679424
[3-[3-[3-[1-[2-[[3-(2,3-Dihydroxypropoxy)-2-[3-[2-[2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxy-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]methyl]-2-[[3-[3-[2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxy-2-hydroxypropoxy]-2-[3-[3-[2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]propoxy]methyl]butoxy]-3-[3-[2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxy-2-[3-[2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxy-2-hydroxypropoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] 2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetate
CID 89679426
[3-[4-[3-[2-(1-Fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxy-2-hydroxypropoxy]butoxy]-2-hydroxypropyl] 2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetate
CID 89679427
4-[2,2-Bis[2-[2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxyethoxymethyl]butoxy]butyl 2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetate
CID 89679428
2,3-Bis[[2-(1,3-difluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxy]propyl 2-(1,3-difluoro-9-oxothioxanthen-4-yl)oxyacetate
CID 89679429
2-[2-[3-[2-[2-[2-(1-Fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxyethoxy]ethoxy]-2,2-bis[2-[2-[2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetyl]oxyethoxy]ethoxymethyl]propoxy]ethoxy]ethyl 2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetate
CID 89679433
[3-[6-[4-[4-(1-Fluoro-9-oxothioxanthen-4-yl)oxy-2-methyl-3-oxobutan-2-yl]oxy-2-methylbutan-2-yl]oxy-3,5-dihydroxy-3-methylhexoxy]-3-methylbutyl] 2-(1-fluoro-9-oxothioxanthen-4-yl)oxyacetate
CID 123153786
2-Methoxyethyl 2-[9-oxo-10-(4-phenylphenyl)thioxanthen-10-ium-2-yl]oxyacetate
CID 21049370
2-(9-Oxothioxanthen-2-yl)oxypropanoic acid
CID 23399046
[2-Hydroxy-3-[3-[1-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-(2-propoxyethoxy)acetyl]oxypropoxy]-2-[3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxy-2-[2-(2-propoxyethoxy)acetyl]oxypropoxy]propoxy]propoxy]-3-[2-[[2-hydroxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propan-2-yl]oxy-2-[2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxy-3-[2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxy-3-[2-(2-propoxyethoxy)acetyl]oxypropoxy]propoxy]propoxy]propyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 58280712
acrylic acid 4-{2-hydroxy-3-[2-(9-oxo-9H-thioxanthen-2-yloxy)-acetoxy]-propoxy}-butyl ester
CID 58325515

Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate?
The IUPAC name of [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate (CID 59601951) is [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate.
What is the SMILES notation for [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate?
The canonical SMILES for [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate is COCCOCCOCC(=O)OCC(O)COCC(COC(COCC(O)COCC(COCC(COC(=O)COCCOCCOC)OCC(O)COC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)OCC(COC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)OC(=O)COCCOCCOC)COCC(C)(COCC(O)COCC(COCC(COC(=O)COC)OC(=O)COCCOCCOC)OC(=O)COCCOCCOC)COCC(COCC(COC(=O)COCCOCCOC)OC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)OC(=O)COCCOCCOC)OCC(COCC(COC(=O)COCCOCCOC)OC(=O)COc1ccc2sc3ccccc3c(=O)c2c1)CC(=O)COc1ccc2sc3ccccc3c(=O)c2c1.
What is the InChIKey of [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate?
The InChIKey is BIJZOUDWJQNEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C185H244O81S5/c1-185(123-242-85-129(188)83-238-96-141(261-174(198)115-230-69-61-222-53-45-213-6)97-240-100-144(106-257-167(191)110-217-10)263-176(200)117-232-71-63-224-55-47-215-8,125-244-102-142(262-175(199)116-231-70-62-223-54-46-214-7)98-241-101-145(108-259-171(195)114-229-68-60-221-52-44-212-5)265-179(203)122-253-136-35-40-166-156(78-136)184(208)151-25-15-20-30-161(151)271-166)124-243-95-138(248-103-139(93-237-84-130(189)88-254-168(192)111-226-65-57-218-49-41-209-2)245-80-126(73-127(186)86-246-132-31-36-162-152(74-132)180(204)147-21-11-16-26-157(147)267-162)79-234-99-143(107-258-170(194)113-228-67-59-220-51-43-211-4)264-178(202)121-252-135-34-39-165-155(77-135)183(207)150-24-14-19-29-160(150)270-165)91-236-82-128(187)81-235-90-137(249-105-146(266-177(201)118-233-72-64-225-56-48-216-9)109-260-173(197)120-251-134-33-38-164-154(76-134)182(206)149-23-13-18-28-159(149)269-164)92-239-94-140(104-256-169(193)112-227-66-58-219-50-42-210-3)247-87-131(190)89-255-172(196)119-250-133-32-37-163-153(75-133)181(205)148-22-12-17-27-158(148)268-163/h11-40,74-78,126,128-131,137-146,187-190H,41-73,79-125H2,1-10H3.
What are the key properties of [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate?
[3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate has a molecular weight of 3924.24 g/mol, XLogP of 9.13, 159 rotatable bonds, 4 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-hydroxy-3-[2-[[3-[2-hydroxy-3-[3-[2-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]propoxy]-2-[3-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]methyl]-4-oxo-5-(9-oxothioxanthen-2-yl)oxypentoxy]propoxy]propoxy]methyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy-2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]propoxy]-2-methylpropoxy]propoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropoxy]-2-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxypropyl] 2-methoxyacetate is sourced from PubChem (CID 59601951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).