[(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol

C6H12O4S — CID 23262054

IUPAC[(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol
SMILESCO[C@H]1CS(=O)C[C@H](CO)O1
InChIInChI=1S/C6H12O4S/c1-9-6-4-11(8)3-5(2-7)10-6/h5-7H,2-4H2,1H3/t5-,6+,11?/m0/s1
InChIKeyFCORFFHVJAVRPV-CXPMQJMOSA-N
MW180.22 g/mol
LogP-0.90
Rot. Bonds2

About [(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol

[(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol (PubChem CID 23262054) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is [(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol
PubChem CID23262054
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name[(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol
SMILESCO[C@H]1CS(=O)C[C@H](CO)O1
InChIInChI=1S/C6H12O4S/c1-9-6-4-11(8)3-5(2-7)10-6/h5-7H,2-4H2,1H3/t5-,6+,11?/m0/s1
InChIKeyFCORFFHVJAVRPV-CXPMQJMOSA-N
XLogP-0.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol?
The IUPAC name of [(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol (CID 23262054) is [(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol.
What is the SMILES notation for [(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol?
The canonical SMILES for [(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol is CO[C@H]1CS(=O)C[C@H](CO)O1.
What is the InChIKey of [(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol?
The InChIKey is FCORFFHVJAVRPV-CXPMQJMOSA-N. The full InChI is InChI=1S/C6H12O4S/c1-9-6-4-11(8)3-5(2-7)10-6/h5-7H,2-4H2,1H3/t5-,6+,11?/m0/s1.
What are the key properties of [(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol?
[(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol has a molecular weight of 180.22 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol is sourced from PubChem (CID 23262054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).