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

C6H12O5S — CID 89047126

IUPAC(2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol
SMILESOC1C(O)[C@H](O)OC(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-QBVPYQBTSA-N
MW196.22 g/mol
LogP-2.28
Rot. Bonds1

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

(2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol (PubChem CID 89047126) has the molecular formula C6H12O5S and a molecular weight of 196.22 g/mol. Its IUPAC name is (2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol
PubChem CID89047126
Molecular FormulaC6H12O5S
Molecular Weight196.22 g/mol
Exact Mass196.04
IUPAC Name(2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol
SMILESOC1C(O)[C@H](O)OC(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-QBVPYQBTSA-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

(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774
2-methyl-6-(sulfanylmethyl)oxane-3,4,5-triol
CID 59680726

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol (CID 89047126) is (2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol is OC1C(O)[C@H](O)OC(CS)[C@H]1O.
What is the InChIKey of (2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol?
The InChIKey is OMLRWUJGVBOYQP-QBVPYQBTSA-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 (2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol?
(2R,5S)-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 (2R,5S)-6-(sulfanylmethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 89047126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).