(5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one

C18H18O3S — CID 10734047

IUPAC(5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one
SMILESO=C1C[C@@](O)(c2ccccc2)[C@@H](c2ccccc2)SCCO1
InChIInChI=1S/C18H18O3S/c19-16-13-18(20,15-9-5-2-6-10-15)17(22-12-11-21-16)14-7-3-1-4-8-14/h1-10,17,20H,11-13H2/t17-,18-/m1/s1
InChIKeyRIYSCTBXEABPBL-QZTJIDSGSA-N
MW314.41 g/mol
LogP3.30
Rot. Bonds2

About (5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one

(5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one (PubChem CID 10734047) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is (5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one.

Molecular Properties

Compound Name(5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one
PubChem CID10734047
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Name(5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one
SMILESO=C1C[C@@](O)(c2ccccc2)[C@@H](c2ccccc2)SCCO1
InChIInChI=1S/C18H18O3S/c19-16-13-18(20,15-9-5-2-6-10-15)17(22-12-11-21-16)14-7-3-1-4-8-14/h1-10,17,20H,11-13H2/t17-,18-/m1/s1
InChIKeyRIYSCTBXEABPBL-QZTJIDSGSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one
CID 92842685
(2R,3S,4R)-4-hydroxy-2,3,4-triphenylcyclopentan-1-one
CID 98160666
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
(6-phenyl-8-oxa-5-thia-2-azabicyclo[5.1.0]octan-7-yl)carbamic acid
CID 87513329
4-[(1S,2R)-1-hydroxy-2-phenylcyclobutyl]benzoic acid
CID 101243575
4-[(1R,2R)-1-hydroxy-2-phenylcyclobutyl]benzoic acid
CID 101370979
4-hydroxy-4-phenyl-5-sulfanylideneoxolan-2-one
CID 88698879
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one?
The IUPAC name of (5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one (CID 10734047) is (5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one.
What is the SMILES notation for (5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one?
The canonical SMILES for (5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one is O=C1C[C@@](O)(c2ccccc2)[C@@H](c2ccccc2)SCCO1.
What is the InChIKey of (5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one?
The InChIKey is RIYSCTBXEABPBL-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H18O3S/c19-16-13-18(20,15-9-5-2-6-10-15)17(22-12-11-21-16)14-7-3-1-4-8-14/h1-10,17,20H,11-13H2/t17-,18-/m1/s1.
What are the key properties of (5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one?
(5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one has a molecular weight of 314.41 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one is sourced from PubChem (CID 10734047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).