[(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate

C9H14O5S — CID 118336594

IUPAC[(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate
SMILESCOC[C@H]1SC(OC(C)=O)C(=O)[C@@H]1OC
InChIInChI=1S/C9H14O5S/c1-5(10)14-9-7(11)8(13-3)6(15-9)4-12-2/h6,8-9H,4H2,1-3H3/t6-,8-,9?/m1/s1
InChIKeyYGUWQWMUYMWDQN-GLXOAHRXSA-N
MW234.27 g/mol
LogP0.22
Rot. Bonds4

About [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate

[(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate (PubChem CID 118336594) has the molecular formula C9H14O5S and a molecular weight of 234.27 g/mol. Its IUPAC name is [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate.

Molecular Properties

Compound Name[(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate
PubChem CID118336594
Molecular FormulaC9H14O5S
Molecular Weight234.27 g/mol
Exact Mass234.06
IUPAC Name[(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate
SMILESCOC[C@H]1SC(OC(C)=O)C(=O)[C@@H]1OC
InChIInChI=1S/C9H14O5S/c1-5(10)14-9-7(11)8(13-3)6(15-9)4-12-2/h6,8-9H,4H2,1-3H3/t6-,8-,9?/m1/s1
InChIKeyYGUWQWMUYMWDQN-GLXOAHRXSA-N
XLogP0.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate?
The IUPAC name of [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate (CID 118336594) is [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate.
What is the SMILES notation for [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate?
The canonical SMILES for [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate is COC[C@H]1SC(OC(C)=O)C(=O)[C@@H]1OC.
What is the InChIKey of [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate?
The InChIKey is YGUWQWMUYMWDQN-GLXOAHRXSA-N. The full InChI is InChI=1S/C9H14O5S/c1-5(10)14-9-7(11)8(13-3)6(15-9)4-12-2/h6,8-9H,4H2,1-3H3/t6-,8-,9?/m1/s1.
What are the key properties of [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate?
[(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate has a molecular weight of 234.27 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-4-methoxy-5-(methoxymethyl)-3-oxothiolan-2-yl] acetate is sourced from PubChem (CID 118336594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).