(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran

C15H18O5S — CID 46890957

IUPAC(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran
SMILESC=CS(=O)(=O)C1=C[C@@H](OC)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C15H18O5S/c1-3-21(16,17)14-9-15(18-2)20-13(14)11-19-10-12-7-5-4-6-8-12/h3-9,13,15H,1,10-11H2,2H3/t13-,15+/m1/s1
InChIKeyBAXFELSGNNLVRE-HIFRSBDPSA-N
MW310.37 g/mol
LogP2.02
Rot. Bonds7

About (2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran

(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran (PubChem CID 46890957) has the molecular formula C15H18O5S and a molecular weight of 310.37 g/mol. Its IUPAC name is (2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran.

Molecular Properties

Compound Name(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran
PubChem CID46890957
Molecular FormulaC15H18O5S
Molecular Weight310.37 g/mol
Exact Mass310.09
IUPAC Name(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran
SMILESC=CS(=O)(=O)C1=C[C@@H](OC)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C15H18O5S/c1-3-21(16,17)14-9-15(18-2)20-13(14)11-19-10-12-7-5-4-6-8-12/h3-9,13,15H,1,10-11H2,2H3/t13-,15+/m1/s1
InChIKeyBAXFELSGNNLVRE-HIFRSBDPSA-N
XLogP2.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran?
The IUPAC name of (2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran (CID 46890957) is (2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran.
What is the SMILES notation for (2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran?
The canonical SMILES for (2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran is C=CS(=O)(=O)C1=C[C@@H](OC)O[C@@H]1COCc1ccccc1.
What is the InChIKey of (2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran?
The InChIKey is BAXFELSGNNLVRE-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H18O5S/c1-3-21(16,17)14-9-15(18-2)20-13(14)11-19-10-12-7-5-4-6-8-12/h3-9,13,15H,1,10-11H2,2H3/t13-,15+/m1/s1.
What are the key properties of (2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran?
(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran has a molecular weight of 310.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran is sourced from PubChem (CID 46890957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).