[(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate

C57H66O8Si — CID 10865877

IUPAC[(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate
SMILESCO[C@H](CC(=O)C[C@@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](c2ccccc2)O1)C[C@@H](CC(=O)O[C@@H](C)c1ccc2ccccc2c1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C57H66O8Si/c1-41(44-33-32-42-22-20-21-25-45(42)34-44)62-54(59)39-52(65-66(6,7)56(2,3)4)37-50(60-5)35-49(58)36-51-38-53(64-55(63-51)43-23-12-8-13-24-43)40-61-57(46-26-14-9-15-27-46,47-28-16-10-17-29-47)48-30-18-11-19-31-48/h8-34,41,50-53,55H,35-40H2,1-7H3/t41-,50+,51+,52-,53+,55+/m0/s1
InChIKeyFOIGPIJITYUQFR-LVYHXWMYSA-N
MW907.23 g/mol
LogP12.86
Rot. Bonds20

About [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate

[(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate (PubChem CID 10865877) has the molecular formula C57H66O8Si and a molecular weight of 907.23 g/mol. Its IUPAC name is [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate.

Molecular Properties

Compound Name[(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate
PubChem CID10865877
Molecular FormulaC57H66O8Si
Molecular Weight907.23 g/mol
Exact Mass906.45
IUPAC Name[(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate
SMILESCO[C@H](CC(=O)C[C@@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](c2ccccc2)O1)C[C@@H](CC(=O)O[C@@H](C)c1ccc2ccccc2c1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C57H66O8Si/c1-41(44-33-32-42-22-20-21-25-45(42)34-44)62-54(59)39-52(65-66(6,7)56(2,3)4)37-50(60-5)35-49(58)36-51-38-53(64-55(63-51)43-23-12-8-13-24-43)40-61-57(46-26-14-9-15-27-46,47-28-16-10-17-29-47)48-30-18-11-19-31-48/h8-34,41,50-53,55H,35-40H2,1-7H3/t41-,50+,51+,52-,53+,55+/m0/s1
InChIKeyFOIGPIJITYUQFR-LVYHXWMYSA-N
XLogP12.86
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.23
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate with MolForge

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Related Compounds

[4-Fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
CID 134221746
[4-Fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(2-phenylethyl)oxolan-3-yl] 4-oxopentanoate
CID 138648231
[(2R,5R)-4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
CID 158294928
[(2R,3S,5R)-4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
CID 173805213
ethyl (2R,4S,5R)-4-benzyl-2,5-dinaphthalen-2-yl-1,3-dioxolane-4-carboxylate
CID 24806928
(2S)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(S)-naphthalen-1-yl(oxan-2-yloxy)methyl]hexanoic acid
CID 134865704
[(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(2R,4S,6R)-6-(ethoxymethyl)-2-phenyl-1,3-dioxan-4-yl]-5-methoxy-7-oxooctanoate
CID 134878829
2-[(2S,3S,4R,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]-1-trimethylsilylethanone
CID 134879546
(3R,6R)-3-[(2S,3R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134971645
(3S,6R)-3-[(2S,3R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134971646
[(1R,6R,7S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-(pyrene-1-carbonyloxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl] pyrene-1-carboxylate;chloroform
CID 139180625
(1S,3S,5S,7R,9R,13R,15S,17E,21E,23R,25Z)-15-[tert-butyl(dimethyl)silyl]oxy-13-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-17-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-3-methoxy-4,4,20,20-tetramethyl-5-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)-25-[2-(2-trimethylsilylethoxymethoxy)ethylidene]-12,27,28-trioxatricyclo[21.3.1.13,7]octacos-21-ene-11,19-dione
CID 139249809

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate?
The IUPAC name of [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate (CID 10865877) is [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate.
What is the SMILES notation for [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate?
The canonical SMILES for [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate is CO[C@H](CC(=O)C[C@@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](c2ccccc2)O1)C[C@@H](CC(=O)O[C@@H](C)c1ccc2ccccc2c1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate?
The InChIKey is FOIGPIJITYUQFR-LVYHXWMYSA-N. The full InChI is InChI=1S/C57H66O8Si/c1-41(44-33-32-42-22-20-21-25-45(42)34-44)62-54(59)39-52(65-66(6,7)56(2,3)4)37-50(60-5)35-49(58)36-51-38-53(64-55(63-51)43-23-12-8-13-24-43)40-61-57(46-26-14-9-15-27-46,47-28-16-10-17-29-47)48-30-18-11-19-31-48/h8-34,41,50-53,55H,35-40H2,1-7H3/t41-,50+,51+,52-,53+,55+/m0/s1.
What are the key properties of [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate?
[(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate has a molecular weight of 907.23 g/mol, XLogP of 12.86, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-naphthalen-2-ylethyl] (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-7-oxo-8-[(2R,4S,6R)-2-phenyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]octanoate is sourced from PubChem (CID 10865877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).