(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol

C11H14O4S — CID 54042822

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol
SMILESOC[C@H]1OC(Sc2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C11H14O4S/c12-6-8-9(13)10(14)11(15-8)16-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10-,11?/m1/s1
InChIKeyLNNNNWKNRRIXCR-GZBOUJLJSA-N
MW242.30 g/mol
LogP0.22
Rot. Bonds3

About (2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol

(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol (PubChem CID 54042822) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol
PubChem CID54042822
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol
SMILESOC[C@H]1OC(Sc2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C11H14O4S/c12-6-8-9(13)10(14)11(15-8)16-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10-,11?/m1/s1
InChIKeyLNNNNWKNRRIXCR-GZBOUJLJSA-N
XLogP0.22
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol (CID 54042822) is (2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol is OC[C@H]1OC(Sc2ccccc2)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol?
The InChIKey is LNNNNWKNRRIXCR-GZBOUJLJSA-N. The full InChI is InChI=1S/C11H14O4S/c12-6-8-9(13)10(14)11(15-8)16-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10-,11?/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol?
(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol has a molecular weight of 242.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol is sourced from PubChem (CID 54042822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).