[(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate

C35H36O7Si — CID 171122516

IUPAC[(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate
SMILESCC(C)(C)[Si](O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O)O[C@H]1COC(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H36O7Si/c1-35(2,3)43(27-20-12-6-13-21-27,28-22-14-7-15-23-28)42-30-29(24-39-32(36)25-16-8-4-9-17-25)40-34(38)31(30)41-33(37)26-18-10-5-11-19-26/h4-23,29-31,34,38H,24H2,1-3H3/t29-,30-,31+,34+/m0/s1
InChIKeyRMXWNRRTKHIIBW-JIAKNCRUSA-N
MW596.75 g/mol
LogP4.73
Rot. Bonds9

About [(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate

[(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate (PubChem CID 171122516) has the molecular formula C35H36O7Si and a molecular weight of 596.75 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate
PubChem CID171122516
Molecular FormulaC35H36O7Si
Molecular Weight596.75 g/mol
Exact Mass596.22
IUPAC Name[(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate
SMILESCC(C)(C)[Si](O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O)O[C@H]1COC(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H36O7Si/c1-35(2,3)43(27-20-12-6-13-21-27,28-22-14-7-15-23-28)42-30-29(24-39-32(36)25-16-8-4-9-17-25)40-34(38)31(30)41-33(37)26-18-10-5-11-19-26/h4-23,29-31,34,38H,24H2,1-3H3/t29-,30-,31+,34+/m0/s1
InChIKeyRMXWNRRTKHIIBW-JIAKNCRUSA-N
XLogP4.73
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.75
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,4S,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423691
[(2R,3R,4S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 54395944
[(2R,3R,4R,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423692
[(2R,3S,4S,5S,6R)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 95198842
[(2R,3R,4S,5S)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 11146396
[4-benzoyloxy-5-hydroxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 171124322
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3,6-dihydroxyoxan-2-yl]methyl benzoate
CID 56619465
[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 11121877
[(3S,4R,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dihydroxyoxan-3-yl] acetate
CID 134931192
[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[8-[tert-butyl(diphenyl)silyl]oxyoctoxy]oxan-2-yl]methyl benzoate
CID 71814070
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 126567775

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate?
The IUPAC name of [(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate (CID 171122516) is [(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate is CC(C)(C)[Si](O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O)O[C@H]1COC(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate?
The InChIKey is RMXWNRRTKHIIBW-JIAKNCRUSA-N. The full InChI is InChI=1S/C35H36O7Si/c1-35(2,3)43(27-20-12-6-13-21-27,28-22-14-7-15-23-28)42-30-29(24-39-32(36)25-16-8-4-9-17-25)40-34(38)31(30)41-33(37)26-18-10-5-11-19-26/h4-23,29-31,34,38H,24H2,1-3H3/t29-,30-,31+,34+/m0/s1.
What are the key properties of [(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate?
[(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate has a molecular weight of 596.75 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate is sourced from PubChem (CID 171122516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).