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

C6H12O4S — CID 5289397

IUPAC(2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol
SMILESCSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
InChIKeyOLVVOVIFTBSBBH-KAZBKCHUSA-N
MW180.22 g/mol
LogP-1.21
Rot. Bonds2

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

(2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol (PubChem CID 5289397) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is (2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol
PubChem CID5289397
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name(2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol
SMILESCSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
InChIKeyOLVVOVIFTBSBBH-KAZBKCHUSA-N
XLogP-1.21
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
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,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol?
The IUPAC name of (2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol (CID 5289397) is (2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol is CSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol?
The InChIKey is OLVVOVIFTBSBBH-KAZBKCHUSA-N. The full InChI is InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1.
What are the key properties of (2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol?
(2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol has a molecular weight of 180.22 g/mol, XLogP of -1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-5-(methylsulfanylmethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 5289397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).