(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid

C21H26O4SSi — CID 10341081

IUPAC(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@@H]1O[C@H](C(=O)O)CS1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O4SSi/c1-21(2,3)27(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-19-25-18(15-26-19)20(22)23/h4-13,18-19H,14-15H2,1-3H3,(H,22,23)/t18-,19+/m0/s1
InChIKeyVOUUQIHVWRWOIY-RBUKOAKNSA-N
MW402.59 g/mol
LogP3.11
Rot. Bonds6

About (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid

(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid (PubChem CID 10341081) has the molecular formula C21H26O4SSi and a molecular weight of 402.59 g/mol. Its IUPAC name is (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid
PubChem CID10341081
Molecular FormulaC21H26O4SSi
Molecular Weight402.59 g/mol
Exact Mass402.13
IUPAC Name(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid
SMILESCC(C)(C)[Si](OC[C@@H]1O[C@H](C(=O)O)CS1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O4SSi/c1-21(2,3)27(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-19-25-18(15-26-19)20(22)23/h4-13,18-19H,14-15H2,1-3H3,(H,22,23)/t18-,19+/m0/s1
InChIKeyVOUUQIHVWRWOIY-RBUKOAKNSA-N
XLogP3.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid 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 (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid?
The IUPAC name of (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid (CID 10341081) is (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid.
What is the SMILES notation for (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid?
The canonical SMILES for (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid is CC(C)(C)[Si](OC[C@@H]1O[C@H](C(=O)O)CS1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid?
The InChIKey is VOUUQIHVWRWOIY-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H26O4SSi/c1-21(2,3)27(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-19-25-18(15-26-19)20(22)23/h4-13,18-19H,14-15H2,1-3H3,(H,22,23)/t18-,19+/m0/s1.
What are the key properties of (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid?
(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid has a molecular weight of 402.59 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid is sourced from PubChem (CID 10341081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).