(3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane

C20H23FO3S — CID 118336381

IUPAC(3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane
SMILESCOC1S[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1F
InChIInChI=1S/C20H23FO3S/c1-22-20-18(21)19(24-13-16-10-6-3-7-11-16)17(25-20)14-23-12-15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18-,19-,20?/m1/s1
InChIKeyHDSWWPNGOCVAHU-SDWZKWEYSA-N
MW362.47 g/mol
LogP4.21
Rot. Bonds8

About (3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane

(3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane (PubChem CID 118336381) has the molecular formula C20H23FO3S and a molecular weight of 362.47 g/mol. Its IUPAC name is (3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane.

Molecular Properties

Compound Name(3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane
PubChem CID118336381
Molecular FormulaC20H23FO3S
Molecular Weight362.47 g/mol
Exact Mass362.14
IUPAC Name(3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane
SMILESCOC1S[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1F
InChIInChI=1S/C20H23FO3S/c1-22-20-18(21)19(24-13-16-10-6-3-7-11-16)17(25-20)14-23-12-15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18-,19-,20?/m1/s1
InChIKeyHDSWWPNGOCVAHU-SDWZKWEYSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane?
The IUPAC name of (3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane (CID 118336381) is (3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane.
What is the SMILES notation for (3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane?
The canonical SMILES for (3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane is COC1S[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1F.
What is the InChIKey of (3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane?
The InChIKey is HDSWWPNGOCVAHU-SDWZKWEYSA-N. The full InChI is InChI=1S/C20H23FO3S/c1-22-20-18(21)19(24-13-16-10-6-3-7-11-16)17(25-20)14-23-12-15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18-,19-,20?/m1/s1.
What are the key properties of (3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane?
(3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane has a molecular weight of 362.47 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolane is sourced from PubChem (CID 118336381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).