(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol

C7H14O5S — CID 5288724

IUPAC(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol
SMILESCS[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C7H14O5S/c1-13-6-3(2-8)12-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
InChIKeyUYUQSQYXZFSOEM-GKHCUFPYSA-N
MW210.25 g/mol
LogP-1.85
Rot. Bonds2

About (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol

(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol (PubChem CID 5288724) has the molecular formula C7H14O5S and a molecular weight of 210.25 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol
PubChem CID5288724
Molecular FormulaC7H14O5S
Molecular Weight210.25 g/mol
Exact Mass210.06
IUPAC Name(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol
SMILESCS[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C7H14O5S/c1-13-6-3(2-8)12-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
InChIKeyUYUQSQYXZFSOEM-GKHCUFPYSA-N
XLogP-1.85
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol (CID 5288724) is (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol is CS[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO.
What is the InChIKey of (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol?
The InChIKey is UYUQSQYXZFSOEM-GKHCUFPYSA-N. The full InChI is InChI=1S/C7H14O5S/c1-13-6-3(2-8)12-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol?
(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol has a molecular weight of 210.25 g/mol, XLogP of -1.85, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol is sourced from PubChem (CID 5288724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).