(2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one

C42H36O4Si2 — CID 100953437

IUPAC(2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one
SMILESO=C1C=C[C@H](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C42H36O4Si2/c43-42-32-31-40(46-48(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)41(45-42)33-44-47(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36/h1-32,40-41H,33H2/t40-,41+/m0/s1
InChIKeyOLVPBROGNMQKIR-WVILEFPPSA-N
MW660.92 g/mol
LogP4.20
Rot. Bonds11

About (2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one

(2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one (PubChem CID 100953437) has the molecular formula C42H36O4Si2 and a molecular weight of 660.92 g/mol. Its IUPAC name is (2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one
PubChem CID100953437
Molecular FormulaC42H36O4Si2
Molecular Weight660.92 g/mol
Exact Mass660.22
IUPAC Name(2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one
SMILESO=C1C=C[C@H](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C42H36O4Si2/c43-42-32-31-40(46-48(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)41(45-42)33-44-47(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36/h1-32,40-41H,33H2/t40-,41+/m0/s1
InChIKeyOLVPBROGNMQKIR-WVILEFPPSA-N
XLogP4.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.92
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one
CID 162995378
2-(phenoxymethyl)-2H-furan-5-one
CID 11275514
(4R,4aR,8aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-6-one
CID 10971944
[2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane
CID 102382950
2-amino-9-[(2R,4S,5R)-4-triphenylsilyloxy-5-(triphenylsilyloxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136717456
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
4-hydroxy-3-prop-2-enyl-6-(triphenylsilyloxymethyl)oxan-2-one
CID 162926023
2-(trimethylsilyloxymethyl)-2H-furan-5-one
CID 20816445
2-benzyl-2H-furan-5-one
CID 13297886
(2R)-2-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxyethyl]-2H-furan-5-one
CID 102201918
(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one
CID 122366245
(5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate
CID 12706673

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one (CID 100953437) is (2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one is O=C1C=C[C@H](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one?
The InChIKey is OLVPBROGNMQKIR-WVILEFPPSA-N. The full InChI is InChI=1S/C42H36O4Si2/c43-42-32-31-40(46-48(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)41(45-42)33-44-47(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36/h1-32,40-41H,33H2/t40-,41+/m0/s1.
What are the key properties of (2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one?
(2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one has a molecular weight of 660.92 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-triphenylsilyloxy-2-(triphenylsilyloxymethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 100953437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).