methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate

C47H53FO9Si — CID 164680045

IUPACmethyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate
SMILESCOC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC1OC(OCF)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C47H53FO9Si/c1-47(2,3)58(38-26-16-8-17-27-38,39-28-18-9-19-29-39)55-33-40(44(49)50-4)56-46-43(53-32-37-24-14-7-15-25-37)41(51-30-35-20-10-5-11-21-35)42(45(57-46)54-34-48)52-31-36-22-12-6-13-23-36/h5-29,40-43,45-46H,30-34H2,1-4H3/t40-,41?,42?,43?,45?,46?/m1/s1
InChIKeySFNBDUCTGWFGBZ-WKLYLQNRSA-N
MW809.02 g/mol
LogP7.50
Rot. Bonds19

About methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate

methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate (PubChem CID 164680045) has the molecular formula C47H53FO9Si and a molecular weight of 809.02 g/mol. Its IUPAC name is methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate
PubChem CID164680045
Molecular FormulaC47H53FO9Si
Molecular Weight809.02 g/mol
Exact Mass808.34
IUPAC Namemethyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate
SMILESCOC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC1OC(OCF)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C47H53FO9Si/c1-47(2,3)58(38-26-16-8-17-27-38,39-28-18-9-19-29-39)55-33-40(44(49)50-4)56-46-43(53-32-37-24-14-7-15-25-37)41(51-30-35-20-10-5-11-21-35)42(45(57-46)54-34-48)52-31-36-22-12-6-13-23-36/h5-29,40-43,45-46H,30-34H2,1-4H3/t40-,41?,42?,43?,45?,46?/m1/s1
InChIKeySFNBDUCTGWFGBZ-WKLYLQNRSA-N
XLogP7.50
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.02
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate?
The IUPAC name of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate (CID 164680045) is methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate.
What is the SMILES notation for methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate?
The canonical SMILES for methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate is COC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC1OC(OCF)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate?
The InChIKey is SFNBDUCTGWFGBZ-WKLYLQNRSA-N. The full InChI is InChI=1S/C47H53FO9Si/c1-47(2,3)58(38-26-16-8-17-27-38,39-28-18-9-19-29-39)55-33-40(44(49)50-4)56-46-43(53-32-37-24-14-7-15-25-37)41(51-30-35-20-10-5-11-21-35)42(45(57-46)54-34-48)52-31-36-22-12-6-13-23-36/h5-29,40-43,45-46H,30-34H2,1-4H3/t40-,41?,42?,43?,45?,46?/m1/s1.
What are the key properties of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate?
methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate has a molecular weight of 809.02 g/mol, XLogP of 7.50, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate is sourced from PubChem (CID 164680045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).