ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal

C96H134N3O32P3Si2 — CID 158842373

IUPACethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal
SMILESCC(=O)OO.CCOC(=O)[C@H](C)OP(=O)(CCNC(C)=O)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CNC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CNC/C(C)=C/Cc1c(OC)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2)Oc1ccccc1.COc1c(C)c2c(c(OCC[Si](C)(C)C)c1C/C=C(\C)C=O)C(=O)OC2
InChIInChI=1S/C32H46NO9PSi.C27H34NO9P.C20H28O5Si.C15H22NO6P.C2H4O3/c1-9-38-31(34)24(4)41-43(36,42-25-13-11-10-12-14-25)21-33-19-22(2)15-16-26-29(37-5)23(3)27-20-40-32(35)28(27)30(26)39-17-18-44(6,7)8;1-6-34-26(30)19(4)36-38(32,37-20-10-8-7-9-11-20)16-28-14-17(2)12-13-21-24(29)23-22(15-35-27(23)31)18(3)25(21)33-5;1-13(11-21)7-8-15-18(23-3)14(2)16-12-25-20(22)17(16)19(15)24-9-10-26(4,5)6;1-4-20-15(18)12(2)21-23(19,11-10-16-13(3)17)22-14-8-6-5-7-9-14;1-2(3)5-4/h10-15,24,33H,9,16-21H2,1-8H3;7-12,19,28-29H,6,13-16H2,1-5H3;7,11H,8-10,12H2,1-6H3;5-9,12H,4,10-11H2,1-3H3,(H,16,17);4H,1H3/b22-15+;17-12+;13-7+;;/t24-,43?;19-,38?;;12-,23?;/m00.0./s1
InChIKeyIYKGAVBYTZIBFA-FQVSJASSSA-N
MW1991.21 g/mol
LogP17.79
Rot. Bonds47

About ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal

ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal (PubChem CID 158842373) has the molecular formula C96H134N3O32P3Si2 and a molecular weight of 1991.21 g/mol. Its IUPAC name is ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal.

Molecular Properties

Compound Nameethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal
PubChem CID158842373
Molecular FormulaC96H134N3O32P3Si2
Molecular Weight1991.21 g/mol
Exact Mass1989.77
IUPAC Nameethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal
SMILESCC(=O)OO.CCOC(=O)[C@H](C)OP(=O)(CCNC(C)=O)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CNC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CNC/C(C)=C/Cc1c(OC)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2)Oc1ccccc1.COc1c(C)c2c(c(OCC[Si](C)(C)C)c1C/C=C(\C)C=O)C(=O)OC2
InChIInChI=1S/C32H46NO9PSi.C27H34NO9P.C20H28O5Si.C15H22NO6P.C2H4O3/c1-9-38-31(34)24(4)41-43(36,42-25-13-11-10-12-14-25)21-33-19-22(2)15-16-26-29(37-5)23(3)27-20-40-32(35)28(27)30(26)39-17-18-44(6,7)8;1-6-34-26(30)19(4)36-38(32,37-20-10-8-7-9-11-20)16-28-14-17(2)12-13-21-24(29)23-22(15-35-27(23)31)18(3)25(21)33-5;1-13(11-21)7-8-15-18(23-3)14(2)16-12-25-20(22)17(16)19(15)24-9-10-26(4,5)6;1-4-20-15(18)12(2)21-23(19,11-10-16-13(3)17)22-14-8-6-5-7-9-14;1-2(3)5-4/h10-15,24,33H,9,16-21H2,1-8H3;7-12,19,28-29H,6,13-16H2,1-5H3;7,11H,8-10,12H2,1-6H3;5-9,12H,4,10-11H2,1-3H3,(H,16,17);4H,1H3/b22-15+;17-12+;13-7+;;/t24-,43?;19-,38?;;12-,23?;/m00.0./s1
InChIKeyIYKGAVBYTZIBFA-FQVSJASSSA-N
XLogP17.79
TPSA447.53 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds47
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001991.21
LogP ≤ 517.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-[2-[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]ethyl]phosphinic acid
CID 59794522
(2S)-2-[hydroxy-[2-[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]ethyl]phosphoryl]oxypropanoic acid;2-[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]ethyl-[(1S)-1-propanoyloxyethoxy]phosphinic acid;2-[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]ethyl-[(1S)-1-propanoyloxyethoxy]phosphinic acid
CID 158582248
6-[(E)-4-diphenoxyphosphoryl-3-methylbut-2-enyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 57459871
(E)-N-(2-diethoxyphosphorylethyl)-6-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enamide;2-[[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]ethylphosphonic acid
CID 162125770
sodium;6-[(E)-4-dimethylphosphoryl-3-methylbut-2-enyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]-methylphosphoryl]amino]propanoate;ethyl (2S)-2-[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]-methylphosphoryl]oxypropanoate;ethyl (2S)-2-hydroxypropanoate;ethyl (2S)-2-[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]-methylphosphoryl]oxypropanoate;(2S)-2-[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]-methylphosphoryl]oxypropanoic acid;[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]-methylphosphinic acid;[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]phosphonic acid;hydroxide
CID 159387167
4-[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]butanal
CID 142962638
(E)-6-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
CID 57459869
5-ethyl-4-methyl-6-[(E)-3-methyl-4-[methyl(phenoxy)phosphoryl]but-2-enyl]-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 58521173
6-[(E)-3-hydroxybut-2-enyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one
CID 142968539
acetonitrile;[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-1-methoxy-4-methyl-1-oxohex-4-en-2-yl]phosphonic acid;methyl (E)-6-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-[methoxy(methyl)phosphoryl]-4-methylhex-4-enoate
CID 159515926
ethyl (2S)-2-[[2-[[(E)-4-[6-ethyl-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]-methylsulfonylamino]ethyl-phenoxyphosphoryl]amino]propanoate
CID 71210664
2-[benzyl-[4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]ethyl dihydrogen phosphate
CID 140571385

Frequently Asked Questions

What is the IUPAC name of ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal?
The IUPAC name of ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal (CID 158842373) is ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal.
What is the SMILES notation for ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal?
The canonical SMILES for ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal is CC(=O)OO.CCOC(=O)[C@H](C)OP(=O)(CCNC(C)=O)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CNC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CNC/C(C)=C/Cc1c(OC)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2)Oc1ccccc1.COc1c(C)c2c(c(OCC[Si](C)(C)C)c1C/C=C(\C)C=O)C(=O)OC2.
What is the InChIKey of ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal?
The InChIKey is IYKGAVBYTZIBFA-FQVSJASSSA-N. The full InChI is InChI=1S/C32H46NO9PSi.C27H34NO9P.C20H28O5Si.C15H22NO6P.C2H4O3/c1-9-38-31(34)24(4)41-43(36,42-25-13-11-10-12-14-25)21-33-19-22(2)15-16-26-29(37-5)23(3)27-20-40-32(35)28(27)30(26)39-17-18-44(6,7)8;1-6-34-26(30)19(4)36-38(32,37-20-10-8-7-9-11-20)16-28-14-17(2)12-13-21-24(29)23-22(15-35-27(23)31)18(3)25(21)33-5;1-13(11-21)7-8-15-18(23-3)14(2)16-12-25-20(22)17(16)19(15)24-9-10-26(4,5)6;1-4-20-15(18)12(2)21-23(19,11-10-16-13(3)17)22-14-8-6-5-7-9-14;1-2(3)5-4/h10-15,24,33H,9,16-21H2,1-8H3;7-12,19,28-29H,6,13-16H2,1-5H3;7,11H,8-10,12H2,1-6H3;5-9,12H,4,10-11H2,1-3H3,(H,16,17);4H,1H3/b22-15+;17-12+;13-7+;;/t24-,43?;19-,38?;;12-,23?;/m00.0./s1.
What are the key properties of ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal?
ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal has a molecular weight of 1991.21 g/mol, XLogP of 17.79, 47 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for ethaneperoxoic acid;ethyl (2S)-2-[2-acetamidoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;ethyl (2S)-2-[[[(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]amino]methyl-phenoxyphosphoryl]oxypropanoate;(E)-4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enal is sourced from PubChem (CID 158842373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).