[(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate

C26H36O6SSi — CID 90895023

IUPAC[(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate
SMILESCCSC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1OC(C)=O
InChIInChI=1S/C26H36O6SSi/c1-6-33-25-24(31-18(2)27)23(29)22(28)21(32-25)17-30-34(26(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-25,28-29H,6,17H2,1-5H3/t21-,22+,23+,24-,25?/m1/s1
InChIKeyOZKDLNIJHOIZOQ-VJIQZMARSA-N
MW504.72 g/mol
LogP2.69
Rot. Bonds8

About [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate

[(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate (PubChem CID 90895023) has the molecular formula C26H36O6SSi and a molecular weight of 504.72 g/mol. Its IUPAC name is [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate
PubChem CID90895023
Molecular FormulaC26H36O6SSi
Molecular Weight504.72 g/mol
Exact Mass504.20
IUPAC Name[(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate
SMILESCCSC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1OC(C)=O
InChIInChI=1S/C26H36O6SSi/c1-6-33-25-24(31-18(2)27)23(29)22(28)21(32-25)17-30-34(26(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-25,28-29H,6,17H2,1-5H3/t21-,22+,23+,24-,25?/m1/s1
InChIKeyOZKDLNIJHOIZOQ-VJIQZMARSA-N
XLogP2.69
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.72
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate 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 [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate?
The IUPAC name of [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate (CID 90895023) is [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate.
What is the SMILES notation for [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate?
The canonical SMILES for [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate is CCSC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1OC(C)=O.
What is the InChIKey of [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate?
The InChIKey is OZKDLNIJHOIZOQ-VJIQZMARSA-N. The full InChI is InChI=1S/C26H36O6SSi/c1-6-33-25-24(31-18(2)27)23(29)22(28)21(32-25)17-30-34(26(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-25,28-29H,6,17H2,1-5H3/t21-,22+,23+,24-,25?/m1/s1.
What are the key properties of [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate?
[(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate has a molecular weight of 504.72 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-ethylsulfanyl-4,5-dihydroxyoxan-3-yl] acetate is sourced from PubChem (CID 90895023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).