(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane

C26H28O3S — CID 15059956

IUPAC(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
SMILESc1ccc(COC[C@H]2OC(SCc3ccccc3)C[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H28O3S/c1-4-10-21(11-5-1)17-27-19-25-24(28-18-22-12-6-2-7-13-22)16-26(29-25)30-20-23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/t24-,25+,26?/m0/s1
InChIKeyUZBXLAWZYRVMEW-LHJLODMPSA-N
MW420.57 g/mol
LogP5.84
Rot. Bonds10

About (2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane

(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane (PubChem CID 15059956) has the molecular formula C26H28O3S and a molecular weight of 420.57 g/mol. Its IUPAC name is (2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
PubChem CID15059956
Molecular FormulaC26H28O3S
Molecular Weight420.57 g/mol
Exact Mass420.18
IUPAC Name(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
SMILESc1ccc(COC[C@H]2OC(SCc3ccccc3)C[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H28O3S/c1-4-10-21(11-5-1)17-27-19-25-24(28-18-22-12-6-2-7-13-22)16-26(29-25)30-20-23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/t24-,25+,26?/m0/s1
InChIKeyUZBXLAWZYRVMEW-LHJLODMPSA-N
XLogP5.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.57
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 134841401
(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enylsulfanyloxane
CID 11511510
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(4R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 126612117
(2R,3S,5R)-5-ethynyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11484097
(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 11382284
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium
CID 11828410
(1S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptane
CID 15318553
(2R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 53483097
(2S,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)thiolane
CID 11293510
3-phenyl-1-[4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]prop-2-yn-1-one
CID 135078072

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane?
The IUPAC name of (2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane (CID 15059956) is (2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane is c1ccc(COC[C@H]2OC(SCc3ccccc3)C[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane?
The InChIKey is UZBXLAWZYRVMEW-LHJLODMPSA-N. The full InChI is InChI=1S/C26H28O3S/c1-4-10-21(11-5-1)17-27-19-25-24(28-18-22-12-6-2-7-13-22)16-26(29-25)30-20-23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/t24-,25+,26?/m0/s1.
What are the key properties of (2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane?
(2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane has a molecular weight of 420.57 g/mol, XLogP of 5.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-benzylsulfanyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 15059956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).