[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate

C18H28O7Si — CID 11036412

IUPAC[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate
SMILESC[Si](C)(C)CCO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H28O7Si/c1-26(2,3)10-9-23-18-16(21)15(20)14(19)13(25-18)11-24-17(22)12-7-5-4-6-8-12/h4-8,13-16,18-21H,9-11H2,1-3H3/t13-,14+,15+,16-,18-/m1/s1
InChIKeyGTGAOZZXXNKPPW-QYXWGXCQSA-N
MW384.50 g/mol
LogP1.01
Rot. Bonds7

About [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate

[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate (PubChem CID 11036412) has the molecular formula C18H28O7Si and a molecular weight of 384.50 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate
PubChem CID11036412
Molecular FormulaC18H28O7Si
Molecular Weight384.50 g/mol
Exact Mass384.16
IUPAC Name[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate
SMILESC[Si](C)(C)CCO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H28O7Si/c1-26(2,3)10-9-23-18-16(21)15(20)14(19)13(25-18)11-24-17(22)12-7-5-4-6-8-12/h4-8,13-16,18-21H,9-11H2,1-3H3/t13-,14+,15+,16-,18-/m1/s1
InChIKeyGTGAOZZXXNKPPW-QYXWGXCQSA-N
XLogP1.01
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate 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,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate (CID 11036412) is [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate is C[Si](C)(C)CCO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate?
The InChIKey is GTGAOZZXXNKPPW-QYXWGXCQSA-N. The full InChI is InChI=1S/C18H28O7Si/c1-26(2,3)10-9-23-18-16(21)15(20)14(19)13(25-18)11-24-17(22)12-7-5-4-6-8-12/h4-8,13-16,18-21H,9-11H2,1-3H3/t13-,14+,15+,16-,18-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate?
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate has a molecular weight of 384.50 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl benzoate is sourced from PubChem (CID 11036412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).