(3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol

C7H14O4S — CID 46875298

IUPAC(3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol
SMILESCCSC[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O4S/c1-2-12-3-4-5(8)6(9)7(10)11-4/h4-10H,2-3H2,1H3/t4-,5-,6-,7?/m1/s1
InChIKeySSZPLWKWPFPRLF-RKEPMNIXSA-N
MW194.25 g/mol
LogP-0.82
Rot. Bonds3

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

(3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol (PubChem CID 46875298) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is (3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol
PubChem CID46875298
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name(3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol
SMILESCCSC[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O4S/c1-2-12-3-4-5(8)6(9)7(10)11-4/h4-10H,2-3H2,1H3/t4-,5-,6-,7?/m1/s1
InChIKeySSZPLWKWPFPRLF-RKEPMNIXSA-N
XLogP-0.82
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol?
The IUPAC name of (3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol (CID 46875298) is (3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol?
The canonical SMILES for (3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol is CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol?
The InChIKey is SSZPLWKWPFPRLF-RKEPMNIXSA-N. The full InChI is InChI=1S/C7H14O4S/c1-2-12-3-4-5(8)6(9)7(10)11-4/h4-10H,2-3H2,1H3/t4-,5-,6-,7?/m1/s1.
What are the key properties of (3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol?
(3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol has a molecular weight of 194.25 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-(ethylsulfanylmethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 46875298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).