[(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol

C33H34O5S — CID 134940285

IUPAC[(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol
SMILESOCC1O[C@H](Sc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H34O5S/c34-21-29-30(35-22-25-13-5-1-6-14-25)31(36-23-26-15-7-2-8-16-26)32(37-24-27-17-9-3-10-18-27)33(38-29)39-28-19-11-4-12-20-28/h1-20,29-34H,21-24H2/t29?,30-,31?,32?,33-/m1/s1
InChIKeyLCXKCJJIRDBXPD-BIDSKZJJSA-N
MW542.70 g/mol
LogP6.25
Rot. Bonds12

About [(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol

[(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol (PubChem CID 134940285) has the molecular formula C33H34O5S and a molecular weight of 542.70 g/mol. Its IUPAC name is [(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol
PubChem CID134940285
Molecular FormulaC33H34O5S
Molecular Weight542.70 g/mol
Exact Mass542.21
IUPAC Name[(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol
SMILESOCC1O[C@H](Sc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H34O5S/c34-21-29-30(35-22-25-13-5-1-6-14-25)31(36-23-26-15-7-2-8-16-26)32(37-24-27-17-9-3-10-18-27)33(38-29)39-28-19-11-4-12-20-28/h1-20,29-34H,21-24H2/t29?,30-,31?,32?,33-/m1/s1
InChIKeyLCXKCJJIRDBXPD-BIDSKZJJSA-N
XLogP6.25
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.70
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol 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,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol?
The IUPAC name of [(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol (CID 134940285) is [(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol.
What is the SMILES notation for [(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol?
The canonical SMILES for [(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol is OCC1O[C@H](Sc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol?
The InChIKey is LCXKCJJIRDBXPD-BIDSKZJJSA-N. The full InChI is InChI=1S/C33H34O5S/c34-21-29-30(35-22-25-13-5-1-6-14-25)31(36-23-26-15-7-2-8-16-26)32(37-24-27-17-9-3-10-18-27)33(38-29)39-28-19-11-4-12-20-28/h1-20,29-34H,21-24H2/t29?,30-,31?,32?,33-/m1/s1.
What are the key properties of [(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol?
[(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol has a molecular weight of 542.70 g/mol, XLogP of 6.25, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol is sourced from PubChem (CID 134940285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).