(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane

C26H28O3S — CID 10645810

IUPAC(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane
SMILESc1ccc(COC[C@H]2SC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H28O3S/c1-4-10-21(11-5-1)16-27-19-25-26(29-18-23-14-8-3-9-15-23)24(20-30-25)28-17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2/t24-,25-,26+/m1/s1
InChIKeyIISDOLHHPNAZII-CYXNTTPDSA-N
MW420.57 g/mol
LogP5.49
Rot. Bonds10

About (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane

(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane (PubChem CID 10645810) has the molecular formula C26H28O3S and a molecular weight of 420.57 g/mol. Its IUPAC name is (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane.

Molecular Properties

Compound Name(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane
PubChem CID10645810
Molecular FormulaC26H28O3S
Molecular Weight420.57 g/mol
Exact Mass420.18
IUPAC Name(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane
SMILESc1ccc(COC[C@H]2SC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H28O3S/c1-4-10-21(11-5-1)16-27-19-25-26(29-18-23-14-8-3-9-15-23)24(20-30-25)28-17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2/t24-,25-,26+/m1/s1
InChIKeyIISDOLHHPNAZII-CYXNTTPDSA-N
XLogP5.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.57
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane 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,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane?
The IUPAC name of (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane (CID 10645810) is (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane.
What is the SMILES notation for (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane?
The canonical SMILES for (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane is c1ccc(COC[C@H]2SC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane?
The InChIKey is IISDOLHHPNAZII-CYXNTTPDSA-N. The full InChI is InChI=1S/C26H28O3S/c1-4-10-21(11-5-1)16-27-19-25-26(29-18-23-14-8-3-9-15-23)24(20-30-25)28-17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2/t24-,25-,26+/m1/s1.
What are the key properties of (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane?
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane has a molecular weight of 420.57 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)thiolane is sourced from PubChem (CID 10645810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).