(2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol

C10H20O6S — CID 58214619

IUPAC(2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol
SMILESCC(C)O[C@@H]1O[C@H](CCS(C)(=O)=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H20O6S/c1-6(2)15-10-9(12)8(11)7(16-10)4-5-17(3,13)14/h6-12H,4-5H2,1-3H3/t7-,8-,9-,10-/m1/s1
InChIKeyGNYXMRAHJXVHTP-ZYUZMQFOSA-N
MW268.33 g/mol
LogP-0.71
Rot. Bonds5

About (2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol

(2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol (PubChem CID 58214619) has the molecular formula C10H20O6S and a molecular weight of 268.33 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol
PubChem CID58214619
Molecular FormulaC10H20O6S
Molecular Weight268.33 g/mol
Exact Mass268.10
IUPAC Name(2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol
SMILESCC(C)O[C@@H]1O[C@H](CCS(C)(=O)=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H20O6S/c1-6(2)15-10-9(12)8(11)7(16-10)4-5-17(3,13)14/h6-12H,4-5H2,1-3H3/t7-,8-,9-,10-/m1/s1
InChIKeyGNYXMRAHJXVHTP-ZYUZMQFOSA-N
XLogP-0.71
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol (CID 58214619) is (2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol is CC(C)O[C@@H]1O[C@H](CCS(C)(=O)=O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol?
The InChIKey is GNYXMRAHJXVHTP-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H20O6S/c1-6(2)15-10-9(12)8(11)7(16-10)4-5-17(3,13)14/h6-12H,4-5H2,1-3H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol?
(2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol has a molecular weight of 268.33 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol is sourced from PubChem (CID 58214619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).