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2-({4-[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxy)-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl}-phenoxy-phosphinoyloxy)-propionic Acid Ethyl Ester

HCID 76546202
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(C)OP(=O)(CC(C)=CCc1c(OC)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2)Oc1ccccc1
InChIKey
VXLCFPNAYGFCIU-UHFFFAOYSA-N
Molecular formula
C31H43O9PSi
Average molar mass
618.7 g/mol

Names & identifiers

Preferred name
2-({4-[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxy)-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl}-phenoxy-phosphinoyloxy)-propionic Acid Ethyl Ester
IUPAC
ethyl 2-[[4-[6-methoxy-7-methyl-3-oxo-4-(2-trimethylsilylethoxy)-1H-2-benzofuran-5-yl]-2-methylbut-2-enyl]-phenoxyphosphoryl]oxypropanoate

Names & synonyms

SCHEMBL1377002VXLCFPNAYGFCIU-UHFFFAOYSA-N2-({4-[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxy)-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl}-phenoxy-phosph inoyloxy)-propionic acid ethyl ester2-({4-[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxy)-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl}-phenoxy-phosphinoyloxy)-propionic Acid Ethyl Ester

Database identifiers

PubChem CID
76546202

Properties

Computed structural properties

Topological polar surface area
107 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
16
Heavy atoms
42
Formal charge
0
Complexity
974

Related reactions

18 records
New reaction record
HRID 33019 reaction equation
HRID 33019As productuspto-grants-2008_09
HRID 33020 reaction equation
HRID 33020As reactantuspto-grants-2008_09
HRID 33683 reaction equation
HRID 33683As productuspto-grants-2008_09
HRID 33684 reaction equation
HRID 33684As reactantuspto-grants-2008_09
HRID 167231 reaction equation
HRID 167231As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 272213 reaction equation
HRID 272213As productuspto-grants-2008_11
HRID 272214 reaction equation
HRID 272214As reactantuspto-grants-2008_11
HRID 540732 reaction equation
HRID 540732As productuspto-grants-2014_10
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Compound notes

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