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

C6H12O5S — CID 69405566

IUPAC(2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol
SMILESCSOC[C@H]1O[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O5S/c1-12-10-2-3-4(7)5(8)6(9)11-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyAIEQYALXIXZGAS-MOJAZDJTSA-N
MW196.22 g/mol
LogP-1.28
Rot. Bonds3

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

(2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol (PubChem CID 69405566) has the molecular formula C6H12O5S and a molecular weight of 196.22 g/mol. Its IUPAC name is (2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol
PubChem CID69405566
Molecular FormulaC6H12O5S
Molecular Weight196.22 g/mol
Exact Mass196.04
IUPAC Name(2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol
SMILESCSOC[C@H]1O[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O5S/c1-12-10-2-3-4(7)5(8)6(9)11-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyAIEQYALXIXZGAS-MOJAZDJTSA-N
XLogP-1.28
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
CID 156617029
6-[(2-methylpropan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
CID 90907126
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
CID 59169178
(2R,4S,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,3,4,5-tetrol
CID 132936006
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10399290
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10331746
1-[[(2R,3R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]propan-2-one
CID 59046447
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol (CID 69405566) is (2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol is CSOC[C@H]1O[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol?
The InChIKey is AIEQYALXIXZGAS-MOJAZDJTSA-N. The full InChI is InChI=1S/C6H12O5S/c1-12-10-2-3-4(7)5(8)6(9)11-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol?
(2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol has a molecular weight of 196.22 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-5-(methylsulfanyloxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 69405566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).