(2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol

C11H22O6S — CID 58214731

IUPAC(2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)O[C@@H]1O[C@H](CCS(C)(=O)=O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C11H22O6S/c1-7(2)16-11-10(13)9(12)6-8(17-11)4-5-18(3,14)15/h7-13H,4-6H2,1-3H3/t8-,9-,10-,11-/m1/s1
InChIKeyAUTNBCYNQHFCPB-GWOFURMSSA-N
MW282.36 g/mol
LogP-0.32
Rot. Bonds5

About (2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol

(2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol (PubChem CID 58214731) has the molecular formula C11H22O6S and a molecular weight of 282.36 g/mol. Its IUPAC name is (2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol
PubChem CID58214731
Molecular FormulaC11H22O6S
Molecular Weight282.36 g/mol
Exact Mass282.11
IUPAC Name(2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)O[C@@H]1O[C@H](CCS(C)(=O)=O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C11H22O6S/c1-7(2)16-11-10(13)9(12)6-8(17-11)4-5-18(3,14)15/h7-13H,4-6H2,1-3H3/t8-,9-,10-,11-/m1/s1
InChIKeyAUTNBCYNQHFCPB-GWOFURMSSA-N
XLogP-0.32
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol (CID 58214731) is (2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol is CC(C)O[C@@H]1O[C@H](CCS(C)(=O)=O)C[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol?
The InChIKey is AUTNBCYNQHFCPB-GWOFURMSSA-N. The full InChI is InChI=1S/C11H22O6S/c1-7(2)16-11-10(13)9(12)6-8(17-11)4-5-18(3,14)15/h7-13H,4-6H2,1-3H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol?
(2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol has a molecular weight of 282.36 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6S)-6-(2-methylsulfonylethyl)-2-propan-2-yloxyoxane-3,4-diol is sourced from PubChem (CID 58214731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).