(2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane

C24H32O5S — CID 25178493

IUPAC(2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane
SMILESCCS[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccc(OC)cc2)[C@H]1OC
InChIInChI=1S/C24H32O5S/c1-5-30-24-23(26-4)22(28-16-19-11-13-20(25-3)14-12-19)21(17(2)29-24)27-15-18-9-7-6-8-10-18/h6-14,17,21-24H,5,15-16H2,1-4H3/t17-,21-,22+,23+,24-/m0/s1
InChIKeyRUXAIYPNSDGWMN-RUWBUGSCSA-N
MW432.58 g/mol
LogP4.68
Rot. Bonds10

About (2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane

(2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane (PubChem CID 25178493) has the molecular formula C24H32O5S and a molecular weight of 432.58 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane
PubChem CID25178493
Molecular FormulaC24H32O5S
Molecular Weight432.58 g/mol
Exact Mass432.20
IUPAC Name(2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane
SMILESCCS[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccc(OC)cc2)[C@H]1OC
InChIInChI=1S/C24H32O5S/c1-5-30-24-23(26-4)22(28-16-19-11-13-20(25-3)14-12-19)21(17(2)29-24)27-15-18-9-7-6-8-10-18/h6-14,17,21-24H,5,15-16H2,1-4H3/t17-,21-,22+,23+,24-/m0/s1
InChIKeyRUXAIYPNSDGWMN-RUWBUGSCSA-N
XLogP4.68
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane?
The IUPAC name of (2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane (CID 25178493) is (2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane.
What is the SMILES notation for (2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane?
The canonical SMILES for (2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane is CCS[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccc(OC)cc2)[C@H]1OC.
What is the InChIKey of (2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane?
The InChIKey is RUXAIYPNSDGWMN-RUWBUGSCSA-N. The full InChI is InChI=1S/C24H32O5S/c1-5-30-24-23(26-4)22(28-16-19-11-13-20(25-3)14-12-19)21(17(2)29-24)27-15-18-9-7-6-8-10-18/h6-14,17,21-24H,5,15-16H2,1-4H3/t17-,21-,22+,23+,24-/m0/s1.
What are the key properties of (2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane?
(2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane has a molecular weight of 432.58 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxane is sourced from PubChem (CID 25178493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).