(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol

C8H16O3S — CID 165022353

IUPAC(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol
SMILESCOC[C@H]1S[C@@H](C)C(O)[C@H]1OC
InChIInChI=1S/C8H16O3S/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-9H,4H2,1-3H3/t5-,6+,7?,8-/m0/s1
InChIKeyYHPNXQLWLKVUDB-WHBCSPCOSA-N
MW192.28 g/mol
LogP0.51
Rot. Bonds3

About (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol

(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol (PubChem CID 165022353) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol.

Molecular Properties

Compound Name(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol
PubChem CID165022353
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol
SMILESCOC[C@H]1S[C@@H](C)C(O)[C@H]1OC
InChIInChI=1S/C8H16O3S/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-9H,4H2,1-3H3/t5-,6+,7?,8-/m0/s1
InChIKeyYHPNXQLWLKVUDB-WHBCSPCOSA-N
XLogP0.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol?
The IUPAC name of (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol (CID 165022353) is (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol.
What is the SMILES notation for (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol?
The canonical SMILES for (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol is COC[C@H]1S[C@@H](C)C(O)[C@H]1OC.
What is the InChIKey of (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol?
The InChIKey is YHPNXQLWLKVUDB-WHBCSPCOSA-N. The full InChI is InChI=1S/C8H16O3S/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-9H,4H2,1-3H3/t5-,6+,7?,8-/m0/s1.
What are the key properties of (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol?
(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol has a molecular weight of 192.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol is sourced from PubChem (CID 165022353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).