About [2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane
[2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane (PubChem CID 157286245) has the molecular formula C171H389N9O70
and a molecular weight of 3691.99 g/mol. Its IUPAC name is [2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane.
Frequently Asked Questions
What is the IUPAC name of [2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane?
The IUPAC name of [2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane (CID 157286245) is [2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane.
What is the SMILES notation for [2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane?
The canonical SMILES for [2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C.C=C.C=C.C=C.C=C.C=C.CC(C)CCC(=O)NC(COCC(O)COCC(CO)OCC(CO)OCC(CO)OCC(COC(C)OCCOCC(O)CO)OCC(O)CO)(COCC(CO)OCC(CO)OCC(COC(C)OCCO)OCC(COC(C)OCCOCC(O)CO)OCC(O)CO)COCC(CO)OC(CO)COCC(O)CO.CCC.CCNC(=O)CCOCCOCC(COCCOCCC(=O)NCC)OCC(COC(COCCOCCC(=O)NCC)COCCOCCC(=O)NCC)(COC(COOC(=O)NCC)COOC(C)C(=O)NCC)COC(COOC(=O)NCC)COOC(C)C(=O)NCC.
What is the InChIKey of [2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane?
The InChIKey is BAGOTHYZYVQNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H141NO42.C61H116N8O28.C3H8.6C2H4.25CH4/c1-49(2)6-7-69(91)71-70(48-98-36-65(25-84)113-64(24-83)35-94-28-55(87)16-75,46-96-30-58(90)29-95-33-59(19-78)107-37-61(21-80)109-39-63(23-82)110-43-66(105-31-56(88)17-76)40-103-51(4)100-12-10-92-26-53(85)14-73)47-97-34-60(20-79)108-38-62(22-81)111-44-68(42-102-50(3)99-9-8-72)112-45-67(106-32-57(89)18-77)41-104-52(5)101-13-11-93-27-54(86)15-74;1-11-62-53(70)19-23-78-27-31-82-35-49(36-83-32-28-79-24-20-54(71)63-12-2)86-43-61(45-88-51(41-92-96-59(76)68-17-7)39-90-94-47(9)57(74)66-15-5,46-89-52(42-93-97-60(77)69-18-8)40-91-95-48(10)58(75)67-16-6)44-87-50(37-84-33-29-80-25-21-55(72)64-13-3)38-85-34-30-81-26-22-56(73)65-14-4;1-3-2;6*1-2;;;;;;;;;;;;;;;;;;;;;;;;;/h49-68,72-90H,6-48H2,1-5H3,(H,71,91);47-52H,11-46H2,1-10H3,(H,62,70)(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,77);3H2,1-2H3;6*1-2H2;25*1H4.
What are the key properties of [2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane?
[2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane has a molecular weight of 3691.99 g/mol, XLogP of 12.62, 154 rotatable bonds, 28 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,2-bis[1,3-bis[2-[3-(ethylamino)-3-oxopropoxy]ethoxy]propan-2-yloxymethyl]-3-[1-[1-(ethylamino)-1-oxopropan-2-yl]peroxy-3-(ethylcarbamoylperoxy)propan-2-yl]oxypropoxy]-3-[1-(ethylamino)-1-oxopropan-2-yl]peroxypropyl] N-ethylcarbamoperoxoate;N-[1-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-[1-(2-hydroxyethoxy)ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[[3-[2-[2-[2-[2-(2,3-dihydroxypropoxy)-3-[1-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]-2-hydroxypropoxy]methyl]-3-[2-[1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl]oxy-3-hydroxypropoxy]propan-2-yl]-4-methylpentanamide;ethene;methane;propane is sourced from PubChem (CID 157286245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).