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

C22H26O3S — CID 11036053

IUPAC(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane
SMILESC=C(CC[C@H]1O[C@H](OC)C[C@@H]1OCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C22H26O3S/c1-17(26-19-11-7-4-8-12-19)13-14-20-21(15-22(23-2)25-20)24-16-18-9-5-3-6-10-18/h3-12,20-22H,1,13-16H2,2H3/t20-,21+,22+/m1/s1
InChIKeyBIPUCSAKTYMNLD-FSSWDIPSSA-N
MW370.51 g/mol
LogP5.42
Rot. Bonds9

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

(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane (PubChem CID 11036053) has the molecular formula C22H26O3S and a molecular weight of 370.51 g/mol. Its IUPAC name is (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane.

Molecular Properties

Compound Name(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane
PubChem CID11036053
Molecular FormulaC22H26O3S
Molecular Weight370.51 g/mol
Exact Mass370.16
IUPAC Name(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane
SMILESC=C(CC[C@H]1O[C@H](OC)C[C@@H]1OCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C22H26O3S/c1-17(26-19-11-7-4-8-12-19)13-14-20-21(15-22(23-2)25-20)24-16-18-9-5-3-6-10-18/h3-12,20-22H,1,13-16H2,2H3/t20-,21+,22+/m1/s1
InChIKeyBIPUCSAKTYMNLD-FSSWDIPSSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.51
LogP ≤ 55.42
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-(3-phenylsulfanylbut-3-enyl)oxolane?
The IUPAC name of (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane (CID 11036053) is (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane.
What is the SMILES notation for (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane?
The canonical SMILES for (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane is C=C(CC[C@H]1O[C@H](OC)C[C@@H]1OCc1ccccc1)Sc1ccccc1.
What is the InChIKey of (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane?
The InChIKey is BIPUCSAKTYMNLD-FSSWDIPSSA-N. The full InChI is InChI=1S/C22H26O3S/c1-17(26-19-11-7-4-8-12-19)13-14-20-21(15-22(23-2)25-20)24-16-18-9-5-3-6-10-18/h3-12,20-22H,1,13-16H2,2H3/t20-,21+,22+/m1/s1.
What are the key properties of (2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane?
(2R,3S,5S)-5-methoxy-3-phenylmethoxy-2-(3-phenylsulfanylbut-3-enyl)oxolane has a molecular weight of 370.51 g/mol, XLogP of 5.42, 9 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-(3-phenylsulfanylbut-3-enyl)oxolane is sourced from PubChem (CID 11036053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).