(2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol

C6H12O4S — CID 56635069

IUPAC(2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol
SMILESC[C@H]1O[C@H](S)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O4S/c1-2-3(7)4(8)5(9)6(11)10-2/h2-9,11H,1H3/t2-,3+,4+,5-,6-/m1/s1
InChIKeySGCGFOOGTWZYCQ-FPRJBGLDSA-N
MW180.22 g/mol
LogP-1.26
Rot. Bonds

About (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol (PubChem CID 56635069) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol
PubChem CID56635069
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name(2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol
SMILESC[C@H]1O[C@H](S)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O4S/c1-2-3(7)4(8)5(9)6(11)10-2/h2-9,11H,1H3/t2-,3+,4+,5-,6-/m1/s1
InChIKeySGCGFOOGTWZYCQ-FPRJBGLDSA-N
XLogP-1.26
TPSA69.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3S,4R,5S,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol
CID 22815166
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
2-methyl-6-(sulfanylmethyl)oxane-3,4,5-triol
CID 59680726
CID 58545377
CID 58545377
CID 175746637
CID 175746637

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol (CID 56635069) is (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol is C[C@H]1O[C@H](S)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol?
The InChIKey is SGCGFOOGTWZYCQ-FPRJBGLDSA-N. The full InChI is InChI=1S/C6H12O4S/c1-2-3(7)4(8)5(9)6(11)10-2/h2-9,11H,1H3/t2-,3+,4+,5-,6-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol has a molecular weight of 180.22 g/mol, XLogP of -1.26, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol is sourced from PubChem (CID 56635069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).