(3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane

C33H34O4S — CID 134865883

IUPAC(3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane
SMILESCC1O[C@H](Sc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H34O4S/c1-25-30(34-22-26-14-6-2-7-15-26)31(35-23-27-16-8-3-9-17-27)32(36-24-28-18-10-4-11-19-28)33(37-25)38-29-20-12-5-13-21-29/h2-21,25,30-33H,22-24H2,1H3/t25?,30-,31?,32?,33-/m1/s1
InChIKeyWGAOZACWMVPQOY-JLYJSLKMSA-N
MW526.70 g/mol
LogP7.28
Rot. Bonds11

About (3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane

(3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane (PubChem CID 134865883) has the molecular formula C33H34O4S and a molecular weight of 526.70 g/mol. Its IUPAC name is (3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane.

Molecular Properties

Compound Name(3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane
PubChem CID134865883
Molecular FormulaC33H34O4S
Molecular Weight526.70 g/mol
Exact Mass526.22
IUPAC Name(3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane
SMILESCC1O[C@H](Sc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H34O4S/c1-25-30(34-22-26-14-6-2-7-15-26)31(35-23-27-16-8-3-9-17-27)32(36-24-28-18-10-4-11-19-28)33(37-25)38-29-20-12-5-13-21-29/h2-21,25,30-33H,22-24H2,1H3/t25?,30-,31?,32?,33-/m1/s1
InChIKeyWGAOZACWMVPQOY-JLYJSLKMSA-N
XLogP7.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.70
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane?
The IUPAC name of (3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane (CID 134865883) is (3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane.
What is the SMILES notation for (3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane?
The canonical SMILES for (3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane is CC1O[C@H](Sc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane?
The InChIKey is WGAOZACWMVPQOY-JLYJSLKMSA-N. The full InChI is InChI=1S/C33H34O4S/c1-25-30(34-22-26-14-6-2-7-15-26)31(35-23-27-16-8-3-9-17-27)32(36-24-28-18-10-4-11-19-28)33(37-25)38-29-20-12-5-13-21-29/h2-21,25,30-33H,22-24H2,1H3/t25?,30-,31?,32?,33-/m1/s1.
What are the key properties of (3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane?
(3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane has a molecular weight of 526.70 g/mol, XLogP of 7.28, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane is sourced from PubChem (CID 134865883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).