(2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol

C6H12O5S — CID 11672852

IUPAC(2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol
SMILESO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CS)[C@H]1O
InChIInChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyOMLRWUJGVBOYQP-DVKNGEFBSA-N
MW196.22 g/mol
LogP-2.28
Rot. Bonds1

About (2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol

(2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol (PubChem CID 11672852) has the molecular formula C6H12O5S and a molecular weight of 196.22 g/mol. Its IUPAC name is (2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol
PubChem CID11672852
Molecular FormulaC6H12O5S
Molecular Weight196.22 g/mol
Exact Mass196.04
IUPAC Name(2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol
SMILESO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CS)[C@H]1O
InChIInChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyOMLRWUJGVBOYQP-DVKNGEFBSA-N
XLogP-2.28
TPSA90.15 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

D-Glucose
CID 5793
D-Galactose
CID 6036
Hexose
CID 206
Beta-D-Glucose
CID 64689
L-Fucose
CID 17106
beta-D-Galactopyranose
CID 439353
Aurothioglucose
CID 6104
L-Rhamnose
CID 25310
Alpha-D-Glucose
CID 79025
D-Mannose
CID 18950
alpha-D-Galactopyranose
CID 439357
beta-L-Fucopyranose
CID 444863

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol (CID 11672852) is (2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol is O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CS)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol?
The InChIKey is OMLRWUJGVBOYQP-DVKNGEFBSA-N. The full InChI is InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol?
(2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol has a molecular weight of 196.22 g/mol, XLogP of -2.28, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 11672852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).