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

C6H12O4S — CID 14607241

IUPAC(2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol
SMILESCS[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O4S/c1-11-6-5(9)4(8)3(7)2-10-6/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyMPRZBJBAUHTOSF-MOJAZDJTSA-N
MW180.22 g/mol
LogP-1.21
Rot. Bonds1

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

(2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol (PubChem CID 14607241) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol
PubChem CID14607241
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name(2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol
SMILESCS[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O4S/c1-11-6-5(9)4(8)3(7)2-10-6/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyMPRZBJBAUHTOSF-MOJAZDJTSA-N
XLogP-1.21
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol (CID 14607241) is (2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol is CS[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol?
The InChIKey is MPRZBJBAUHTOSF-MOJAZDJTSA-N. The full InChI is InChI=1S/C6H12O4S/c1-11-6-5(9)4(8)3(7)2-10-6/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol?
(2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol has a molecular weight of 180.22 g/mol, XLogP of -1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-methylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 14607241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).