(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran

C27H26O5S — CID 46871913

IUPAC(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran
SMILESC=CS(=O)(=O)C1=C[C@H](OC)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26O5S/c1-3-33(28,29)25-19-26(30-2)32-24(25)20-31-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h3-19,24,26H,1,20H2,2H3/t24-,26-/m1/s1
InChIKeyNPQLFHMBMXACAQ-AOYPEHQESA-N
MW462.57 g/mol
LogP4.81
Rot. Bonds9

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

(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran (PubChem CID 46871913) has the molecular formula C27H26O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is (2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran.

Molecular Properties

Compound Name(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran
PubChem CID46871913
Molecular FormulaC27H26O5S
Molecular Weight462.57 g/mol
Exact Mass462.15
IUPAC Name(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran
SMILESC=CS(=O)(=O)C1=C[C@H](OC)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26O5S/c1-3-33(28,29)25-19-26(30-2)32-24(25)20-31-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h3-19,24,26H,1,20H2,2H3/t24-,26-/m1/s1
InChIKeyNPQLFHMBMXACAQ-AOYPEHQESA-N
XLogP4.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran?
The IUPAC name of (2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran (CID 46871913) is (2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran.
What is the SMILES notation for (2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran?
The canonical SMILES for (2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran is C=CS(=O)(=O)C1=C[C@H](OC)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran?
The InChIKey is NPQLFHMBMXACAQ-AOYPEHQESA-N. The full InChI is InChI=1S/C27H26O5S/c1-3-33(28,29)25-19-26(30-2)32-24(25)20-31-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h3-19,24,26H,1,20H2,2H3/t24-,26-/m1/s1.
What are the key properties of (2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran?
(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran has a molecular weight of 462.57 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran is sourced from PubChem (CID 46871913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).