(2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol

C11H14O4S — CID 15489179

IUPAC(2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Sc2ccccc2)OC[C@@H]1O
InChIInChI=1S/C11H14O4S/c12-8-6-15-11(10(14)9(8)13)16-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9-,10+,11-/m0/s1
InChIKeyXLPYNUBZTOGBGH-MMWGEVLESA-N
MW242.30 g/mol
LogP0.22
Rot. Bonds2

About (2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol

(2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol (PubChem CID 15489179) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol
PubChem CID15489179
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name(2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Sc2ccccc2)OC[C@@H]1O
InChIInChI=1S/C11H14O4S/c12-8-6-15-11(10(14)9(8)13)16-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9-,10+,11-/m0/s1
InChIKeyXLPYNUBZTOGBGH-MMWGEVLESA-N
XLogP0.22
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
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 (2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol (CID 15489179) is (2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](Sc2ccccc2)OC[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol?
The InChIKey is XLPYNUBZTOGBGH-MMWGEVLESA-N. The full InChI is InChI=1S/C11H14O4S/c12-8-6-15-11(10(14)9(8)13)16-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9-,10+,11-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol?
(2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol has a molecular weight of 242.30 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-phenylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 15489179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).