(2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol

C8H16O5S — CID 134571167

IUPAC(2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol
SMILESCSOC1C(CO)O[C@H](C)C(O)C1O
InChIInChI=1S/C8H16O5S/c1-4-6(10)7(11)8(13-14-2)5(3-9)12-4/h4-11H,3H2,1-2H3/t4-,5?,6?,7?,8?/m1/s1
InChIKeySZHPORCKSFYBGK-BKJPEWSUSA-N
MW224.28 g/mol
LogP-0.85
Rot. Bonds3

About (2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol

(2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol (PubChem CID 134571167) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is (2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol
PubChem CID134571167
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name(2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol
SMILESCSOC1C(CO)O[C@H](C)C(O)C1O
InChIInChI=1S/C8H16O5S/c1-4-6(10)7(11)8(13-14-2)5(3-9)12-4/h4-11H,3H2,1-2H3/t4-,5?,6?,7?,8?/m1/s1
InChIKeySZHPORCKSFYBGK-BKJPEWSUSA-N
XLogP-0.85
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.85
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

(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);methane
CID 160896392
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol
CID 157104198
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol
CID 139318361
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol?
The IUPAC name of (2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol (CID 134571167) is (2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol.
What is the SMILES notation for (2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol?
The canonical SMILES for (2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol is CSOC1C(CO)O[C@H](C)C(O)C1O.
What is the InChIKey of (2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol?
The InChIKey is SZHPORCKSFYBGK-BKJPEWSUSA-N. The full InChI is InChI=1S/C8H16O5S/c1-4-6(10)7(11)8(13-14-2)5(3-9)12-4/h4-11H,3H2,1-2H3/t4-,5?,6?,7?,8?/m1/s1.
What are the key properties of (2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol?
(2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol has a molecular weight of 224.28 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(hydroxymethyl)-2-methyl-5-methylsulfanyloxyoxane-3,4-diol is sourced from PubChem (CID 134571167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).