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

C35H38O5S2 — CID 10952153

IUPAC(2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCSS[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C35H38O5S2/c1-41-42-35-34(39-25-30-20-12-5-13-21-30)33(38-24-29-18-10-4-11-19-29)32(37-23-28-16-8-3-9-17-28)31(40-35)26-36-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32-,33+,34-,35-/m1/s1
InChIKeyJAMIVFJGDYNIIP-CKQPALCZSA-N
MW602.82 g/mol
LogP7.70
Rot. Bonds15

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

(2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 10952153) has the molecular formula C35H38O5S2 and a molecular weight of 602.82 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID10952153
Molecular FormulaC35H38O5S2
Molecular Weight602.82 g/mol
Exact Mass602.22
IUPAC Name(2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCSS[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C35H38O5S2/c1-41-42-35-34(39-25-30-20-12-5-13-21-30)33(38-24-29-18-10-4-11-19-29)32(37-23-28-16-8-3-9-17-28)31(40-35)26-36-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32-,33+,34-,35-/m1/s1
InChIKeyJAMIVFJGDYNIIP-CKQPALCZSA-N
XLogP7.70
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.82
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-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 (2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 10952153) is (2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is CSS[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is JAMIVFJGDYNIIP-CKQPALCZSA-N. The full InChI is InChI=1S/C35H38O5S2/c1-41-42-35-34(39-25-30-20-12-5-13-21-30)33(38-24-29-18-10-4-11-19-29)32(37-23-28-16-8-3-9-17-28)31(40-35)26-36-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32-,33+,34-,35-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 602.82 g/mol, XLogP of 7.70, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(methyldisulfanyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 10952153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).