(2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C41H42O5 — CID 11135847

IUPAC(2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESc1ccc(COC[C@H]2O[C@@H](Cc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C41H42O5/c1-6-16-32(17-7-1)26-37-39(43-28-34-20-10-3-11-21-34)41(45-30-36-24-14-5-15-25-36)40(44-29-35-22-12-4-13-23-35)38(46-37)31-42-27-33-18-8-2-9-19-33/h1-25,37-41H,26-31H2/t37-,38+,39-,40+,41+/m0/s1
InChIKeyJBWSLLXQJLSPLM-XWASVSOJSA-N
MW614.78 g/mol
LogP7.97
Rot. Bonds15

About (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 11135847) has the molecular formula C41H42O5 and a molecular weight of 614.78 g/mol. Its IUPAC name is (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID11135847
Molecular FormulaC41H42O5
Molecular Weight614.78 g/mol
Exact Mass614.30
IUPAC Name(2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESc1ccc(COC[C@H]2O[C@@H](Cc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C41H42O5/c1-6-16-32(17-7-1)26-37-39(43-28-34-20-10-3-11-21-34)41(45-30-36-24-14-5-15-25-36)40(44-29-35-22-12-4-13-23-35)38(46-37)31-42-27-33-18-8-2-9-19-33/h1-25,37-41H,26-31H2/t37-,38+,39-,40+,41+/m0/s1
InChIKeyJBWSLLXQJLSPLM-XWASVSOJSA-N
XLogP7.97
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.78
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane 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 (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 11135847) is (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is c1ccc(COC[C@H]2O[C@@H](Cc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is JBWSLLXQJLSPLM-XWASVSOJSA-N. The full InChI is InChI=1S/C41H42O5/c1-6-16-32(17-7-1)26-37-39(43-28-34-20-10-3-11-21-34)41(45-30-36-24-14-5-15-25-36)40(44-29-35-22-12-4-13-23-35)38(46-37)31-42-27-33-18-8-2-9-19-33/h1-25,37-41H,26-31H2/t37-,38+,39-,40+,41+/m0/s1.
What are the key properties of (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 614.78 g/mol, XLogP of 7.97, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 11135847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).