(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane

C23H28O3S — CID 11783951

IUPAC(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane
SMILESC=C(CCC[C@H]1O[C@H](OC)C[C@@H]1OCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C23H28O3S/c1-18(27-20-13-7-4-8-14-20)10-9-15-21-22(16-23(24-2)26-21)25-17-19-11-5-3-6-12-19/h3-8,11-14,21-23H,1,9-10,15-17H2,2H3/t21-,22+,23+/m1/s1
InChIKeyZYMBFDAPCWOEAU-VJBWXMMDSA-N
MW384.54 g/mol
LogP5.81
Rot. Bonds10

About (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane

(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane (PubChem CID 11783951) has the molecular formula C23H28O3S and a molecular weight of 384.54 g/mol. Its IUPAC name is (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane.

Molecular Properties

Compound Name(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane
PubChem CID11783951
Molecular FormulaC23H28O3S
Molecular Weight384.54 g/mol
Exact Mass384.18
IUPAC Name(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane
SMILESC=C(CCC[C@H]1O[C@H](OC)C[C@@H]1OCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C23H28O3S/c1-18(27-20-13-7-4-8-14-20)10-9-15-21-22(16-23(24-2)26-21)25-17-19-11-5-3-6-12-19/h3-8,11-14,21-23H,1,9-10,15-17H2,2H3/t21-,22+,23+/m1/s1
InChIKeyZYMBFDAPCWOEAU-VJBWXMMDSA-N
XLogP5.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane?
The IUPAC name of (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane (CID 11783951) is (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane.
What is the SMILES notation for (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane?
The canonical SMILES for (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane is C=C(CCC[C@H]1O[C@H](OC)C[C@@H]1OCc1ccccc1)Sc1ccccc1.
What is the InChIKey of (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane?
The InChIKey is ZYMBFDAPCWOEAU-VJBWXMMDSA-N. The full InChI is InChI=1S/C23H28O3S/c1-18(27-20-13-7-4-8-14-20)10-9-15-21-22(16-23(24-2)26-21)25-17-19-11-5-3-6-12-19/h3-8,11-14,21-23H,1,9-10,15-17H2,2H3/t21-,22+,23+/m1/s1.
What are the key properties of (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane?
(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane has a molecular weight of 384.54 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(4-phenylsulfanylpent-4-enyl)oxolane is sourced from PubChem (CID 11783951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).