(2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol

C13H18O6S — CID 145143943

IUPAC(2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H]([C@H](O)c2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H18O6S/c1-7-10(14)12(16)13(19-7)11(15)8-3-5-9(6-4-8)20(2,17)18/h3-7,10-16H,1-2H3/t7-,10-,11+,12-,13+/m0/s1
InChIKeySFSHEUAMQAOYPW-MXHCUKRJSA-N
MW302.35 g/mol
LogP-0.37
Rot. Bonds3

About (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol

(2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol (PubChem CID 145143943) has the molecular formula C13H18O6S and a molecular weight of 302.35 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol
PubChem CID145143943
Molecular FormulaC13H18O6S
Molecular Weight302.35 g/mol
Exact Mass302.08
IUPAC Name(2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H]([C@H](O)c2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H18O6S/c1-7-10(14)12(16)13(19-7)11(15)8-3-5-9(6-4-8)20(2,17)18/h3-7,10-16H,1-2H3/t7-,10-,11+,12-,13+/m0/s1
InChIKeySFSHEUAMQAOYPW-MXHCUKRJSA-N
XLogP-0.37
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol with MolForge

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Related Compounds

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CID 116939660
chloro-(4-methylsulfonylphenyl)methanol
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2-ethyl-1-(4-methylsulfonylphenyl)butan-1-ol
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1-[2-[hydroxy-(4-methylsulfonylphenyl)methyl]aziridin-1-yl]ethanone
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1-(4-methylsulfonylphenyl)ethanethiol
CID 43124121
(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol
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CID 105004743

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol (CID 145143943) is (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol is C[C@@H]1O[C@H]([C@H](O)c2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol?
The InChIKey is SFSHEUAMQAOYPW-MXHCUKRJSA-N. The full InChI is InChI=1S/C13H18O6S/c1-7-10(14)12(16)13(19-7)11(15)8-3-5-9(6-4-8)20(2,17)18/h3-7,10-16H,1-2H3/t7-,10-,11+,12-,13+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol?
(2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol has a molecular weight of 302.35 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 145143943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).