3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane

C84H130Cl4O42S6 — CID 161298844

IUPAC3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane
SMILESCC.CC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)OCC(C)(COC(=O)OCC(C)(COC(=O)OCC(C)(COC(=O)[C@H](C)OC(=O)[C@H](C)OC(C)=O)C(=O)OCCCCl)C(=O)OCc1ccccc1)C(=O)OCCCCl.CC(CO)(COC(=O)OCC(C)(COC(=O)OCC(C)(CO)C(=O)OCCCCl)C(=O)OCc1ccccc1)C(=O)OCCCCl.C[C@@H]1OC(=O)[C@H](C)OC1=O.S.S.S.S.S.S
InChIInChI=1S/C46H62Cl2O24.C30H42Cl2O14.C6H8O4.C2H6.6H2S/c1-28(71-37(53)30(3)69-32(5)49)35(51)63-22-44(7,39(55)60-19-13-17-47)24-65-42(58)67-26-46(9,41(57)62-21-34-15-11-10-12-16-34)27-68-43(59)66-25-45(8,40(56)61-20-14-18-48)23-64-36(52)29(2)72-38(54)31(4)70-33(6)50;1-28(16-33,23(35)40-13-7-11-31)18-43-26(38)45-20-30(3,25(37)42-15-22-9-5-4-6-10-22)21-46-27(39)44-19-29(2,17-34)24(36)41-14-8-12-32;1-3-5(7)10-4(2)6(8)9-3;1-2;;;;;;/h10-12,15-16,28-31H,13-14,17-27H2,1-9H3;4-6,9-10,33-34H,7-8,11-21H2,1-3H3;3-4H,1-2H3;1-2H3;6*1H2/t28-,29-,30-,31-,44?,45?,46?;;3-,4-;;;;;;;/m0.0......./s1
InChIKeyVHIIHJVKNSIRQY-BDOHZPAXSA-N
MW2146.14 g/mol
LogP9.20
Rot. Bonds52

About 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane

3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane (PubChem CID 161298844) has the molecular formula C84H130Cl4O42S6 and a molecular weight of 2146.14 g/mol. Its IUPAC name is 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane.

Molecular Properties

Compound Name3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane
PubChem CID161298844
Molecular FormulaC84H130Cl4O42S6
Molecular Weight2146.14 g/mol
Exact Mass2142.51
IUPAC Name3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane
SMILESCC.CC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)OCC(C)(COC(=O)OCC(C)(COC(=O)OCC(C)(COC(=O)[C@H](C)OC(=O)[C@H](C)OC(C)=O)C(=O)OCCCCl)C(=O)OCc1ccccc1)C(=O)OCCCCl.CC(CO)(COC(=O)OCC(C)(COC(=O)OCC(C)(CO)C(=O)OCCCCl)C(=O)OCc1ccccc1)C(=O)OCCCCl.C[C@@H]1OC(=O)[C@H](C)OC1=O.S.S.S.S.S.S
InChIInChI=1S/C46H62Cl2O24.C30H42Cl2O14.C6H8O4.C2H6.6H2S/c1-28(71-37(53)30(3)69-32(5)49)35(51)63-22-44(7,39(55)60-19-13-17-47)24-65-42(58)67-26-46(9,41(57)62-21-34-15-11-10-12-16-34)27-68-43(59)66-25-45(8,40(56)61-20-14-18-48)23-64-36(52)29(2)72-38(54)31(4)70-33(6)50;1-28(16-33,23(35)40-13-7-11-31)18-43-26(38)45-20-30(3,25(37)42-15-22-9-5-4-6-10-22)21-46-27(39)44-19-29(2,17-34)24(36)41-14-8-12-32;1-3-5(7)10-4(2)6(8)9-3;1-2;;;;;;/h10-12,15-16,28-31H,13-14,17-27H2,1-9H3;4-6,9-10,33-34H,7-8,11-21H2,1-3H3;3-4H,1-2H3;1-2H3;6*1H2/t28-,29-,30-,31-,44?,45?,46?;;3-,4-;;;;;;;/m0.0......./s1
InChIKeyVHIIHJVKNSIRQY-BDOHZPAXSA-N
XLogP9.20
TPSA550.78 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds52
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.14
LogP ≤ 59.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane with MolForge

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Related Compounds

3-[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-2-methyl-3-oxo-3-[3-(trimethylazaniumyl)propoxy]propoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoyl]oxypropyl-trimethylazanium;sulfane;dibromide
CID 157419579
3-[2-[[(2S)-3-[(2R)-2-acetyloxypropanoyl]oxy-2-methylpropanoyl]oxymethyl]-3-[2-[[2-[[(2R)-2-[(2R)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-2-methyl-3-oxo-3-[3-(trimethylazaniumyl)propoxy]propoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoyl]oxypropyl-trimethylazanium
CID 88981439
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
(3-methylphenyl)methyl 2-(hydroxymethyl)-2-methyl-3-phenylmethoxycarbonyloxypropanoate
CID 59608843
[2-methyl-2-[(2S)-1-[(2S)-1-(2-methyl-2-phenylmethoxycarbonylbutoxy)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxycarbonylbutyl] 6-hydroxy-3,5-dimethylhexanoate
CID 59859180
bis([2,2-difluoro-2-(fluoromethoxy)ethyl] 4-bromo-2,2-dimethyl-4-phenylbutanoate);2,2-difluoro-2-(trifluoromethoxy)ethanol;[1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;3,6-dimethyl-1,4-dioxane-2,5-dione;bis(trifluoro(fluoromethoxy)methane)
CID 160568567
3-[2-(3-hydroxypropoxycarbonyloxymethyl)-3-[2-[[2-(3-hydroxypropoxycarbonyloxymethyl)-2-methyl-3-oxo-3-[3-(trimethylazaniumyl)propoxy]propoxy]carbonyloxymethyl]-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoyl]oxypropyl-trimethylazanium
CID 58311958
[4-[[2-(acetyloxymethyl)-2-methyl-3-[(2R)-1-oxo-1-[(2R)-3-oxobutan-2-yl]oxypropan-2-yl]oxycarbonyloxypropanoyl]oxymethyl]phenyl]methyl-trimethylazanium
CID 90327966
[2-[2-(2-acetyloxypropanoyloxy)propanoyloxymethyl]-2-methyl-3-oxo-3-(9,9,9-trifluorononoxy)propyl] 4-bromo-2,2-dimethyl-4-phenylbutanoate
CID 130438633
benzyl 2-[[3-ethoxy-2-methyl-3-oxo-2-[2-(3-oxopropoxy)ethoxycarbonyloxymethyl]propoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate
CID 58312474
bis(benzyl 3-methoxy-2-(methoxymethyl)-2-methylpropanoate);bis(3-bromopropyl 2-(acetyloxymethyl)-3-hydroxy-2-methylpropanoate);bis(butyl 2-(acetyloxymethyl)-3-hydroxy-2-methylpropanoate);N,N-dimethylmethanamine;tetrakis(1-ethoxyethyl 2-(acetyloxymethyl)-3-hydroxy-2-methylpropanoate);methane;dibromide
CID 161193167

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane?
The IUPAC name of 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane (CID 161298844) is 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane.
What is the SMILES notation for 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane?
The canonical SMILES for 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane is CC.CC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)OCC(C)(COC(=O)OCC(C)(COC(=O)OCC(C)(COC(=O)[C@H](C)OC(=O)[C@H](C)OC(C)=O)C(=O)OCCCCl)C(=O)OCc1ccccc1)C(=O)OCCCCl.CC(CO)(COC(=O)OCC(C)(COC(=O)OCC(C)(CO)C(=O)OCCCCl)C(=O)OCc1ccccc1)C(=O)OCCCCl.C[C@@H]1OC(=O)[C@H](C)OC1=O.S.S.S.S.S.S.
What is the InChIKey of 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane?
The InChIKey is VHIIHJVKNSIRQY-BDOHZPAXSA-N. The full InChI is InChI=1S/C46H62Cl2O24.C30H42Cl2O14.C6H8O4.C2H6.6H2S/c1-28(71-37(53)30(3)69-32(5)49)35(51)63-22-44(7,39(55)60-19-13-17-47)24-65-42(58)67-26-46(9,41(57)62-21-34-15-11-10-12-16-34)27-68-43(59)66-25-45(8,40(56)61-20-14-18-48)23-64-36(52)29(2)72-38(54)31(4)70-33(6)50;1-28(16-33,23(35)40-13-7-11-31)18-43-26(38)45-20-30(3,25(37)42-15-22-9-5-4-6-10-22)21-46-27(39)44-19-29(2,17-34)24(36)41-14-8-12-32;1-3-5(7)10-4(2)6(8)9-3;1-2;;;;;;/h10-12,15-16,28-31H,13-14,17-27H2,1-9H3;4-6,9-10,33-34H,7-8,11-21H2,1-3H3;3-4H,1-2H3;1-2H3;6*1H2/t28-,29-,30-,31-,44?,45?,46?;;3-,4-;;;;;;;/m0.0......./s1.
What are the key properties of 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane?
3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane has a molecular weight of 2146.14 g/mol, XLogP of 9.20, 52 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl 2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-[2-[[2-[[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxymethyl]-3-(3-chloropropoxy)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxy-2-methylpropanoate;3-chloropropyl 2-[[2-[[3-(3-chloropropoxy)-2-(hydroxymethyl)-2-methyl-3-oxopropoxy]carbonyloxymethyl]-2-methyl-3-oxo-3-phenylmethoxypropoxy]carbonyloxymethyl]-3-hydroxy-2-methylpropanoate;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;ethane;sulfane is sourced from PubChem (CID 161298844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).