(3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

C27H30O5SSi — CID 10028719

IUPAC(3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O5SSi/c1-27(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-21-19-25(26(28)32-21)33(29,30)22-13-7-4-8-14-22/h4-18,21,25H,19-20H2,1-3H3/t21-,25+/m0/s1
InChIKeyWHWJYCVWSPLALM-SQJMNOBHSA-N
MW494.69 g/mol
LogP3.72
Rot. Bonds7

About (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

(3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (PubChem CID 10028719) has the molecular formula C27H30O5SSi and a molecular weight of 494.69 g/mol. Its IUPAC name is (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
PubChem CID10028719
Molecular FormulaC27H30O5SSi
Molecular Weight494.69 g/mol
Exact Mass494.16
IUPAC Name(3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O5SSi/c1-27(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-21-19-25(26(28)32-21)33(29,30)22-13-7-4-8-14-22/h4-18,21,25H,19-20H2,1-3H3/t21-,25+/m0/s1
InChIKeyWHWJYCVWSPLALM-SQJMNOBHSA-N
XLogP3.72
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.69
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11058149
5-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylsulfanyloxolan-2-one
CID 15928054
(3S,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10481389
5-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one
CID 19937744
3-(Benzenesulfonyl)-5-(butoxymethyl)oxolan-2-one
CID 22955389
2-Oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate;triphenylsulfanium
CID 161604789
(3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-3-phenylsulfanyloxolan-2-one
CID 10983791
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylsulfanyloxolan-2-one
CID 15928056
methyl (3S)-2-(benzenesulfonyl)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enoate
CID 102238802
methyl (E)-2-(benzenesulfonyl)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enoate
CID 102238808
[(1S,2R,3S)-1-(benzenesulfonyl)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxybutyl] acetate
CID 102241780
[(1R,2S,3R)-1-(benzenesulfonyl)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxybutyl] acetate
CID 102241781

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The IUPAC name of (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (CID 10028719) is (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.
What is the SMILES notation for (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The canonical SMILES for (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is CC(C)(C)[Si](OC[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The InChIKey is WHWJYCVWSPLALM-SQJMNOBHSA-N. The full InChI is InChI=1S/C27H30O5SSi/c1-27(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-21-19-25(26(28)32-21)33(29,30)22-13-7-4-8-14-22/h4-18,21,25H,19-20H2,1-3H3/t21-,25+/m0/s1.
What are the key properties of (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
(3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one has a molecular weight of 494.69 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is sourced from PubChem (CID 10028719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).