methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate

C7H10O5S — CID 10998176

IUPACmethyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@@H](OC(C)=O)CS1
InChIInChI=1S/C7H10O5S/c1-4(8)11-5-3-13-7(12-5)6(9)10-2/h5,7H,3H2,1-2H3/t5-,7-/m1/s1
InChIKeyODFLJHPDHHXGPY-IYSWYEEDSA-N
MW206.22 g/mol
LogP0.14
Rot. Bonds2

About methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate

methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate (PubChem CID 10998176) has the molecular formula C7H10O5S and a molecular weight of 206.22 g/mol. Its IUPAC name is methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate
PubChem CID10998176
Molecular FormulaC7H10O5S
Molecular Weight206.22 g/mol
Exact Mass206.02
IUPAC Namemethyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@@H](OC(C)=O)CS1
InChIInChI=1S/C7H10O5S/c1-4(8)11-5-3-13-7(12-5)6(9)10-2/h5,7H,3H2,1-2H3/t5-,7-/m1/s1
InChIKeyODFLJHPDHHXGPY-IYSWYEEDSA-N
XLogP0.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Acetoxy-(1,3)oxathiolane-2-carboxylic acid
CID 10241657
5-acetyloxy-1,3-oxathiolane-2-carboxylic Acid
CID 3592787
(5-Acetyloxy-1,3-oxathiolan-2-yl)methyl acetate
CID 22607113
Methyl 5-hydroxy-1,3-oxathiolane-2-carboxylate
CID 59615226
propan-2-yl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate
CID 141562382
trans-5-Acetoxy-1,3-oxathiolane-2-carboxylicacid
CID 11805546
methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate
CID 155930847
Propan-2-yl 5-hydroxy-1,3-oxathiolane-2-carboxylate
CID 164675013
2,2-Dimethyl-5-methylsulfanyl-1,3-dioxolan-4-one
CID 262582
Ethyl 5-methoxycarbonyloxy-1,3-oxathiolane-2-carboxylate
CID 9813444
(2S,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylic acid
CID 10012786
Ethyl 1,3-oxathiolane-2-carboxylate
CID 11105666

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate?
The IUPAC name of methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate (CID 10998176) is methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate.
What is the SMILES notation for methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate?
The canonical SMILES for methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate is COC(=O)[C@@H]1O[C@@H](OC(C)=O)CS1.
What is the InChIKey of methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate?
The InChIKey is ODFLJHPDHHXGPY-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H10O5S/c1-4(8)11-5-3-13-7(12-5)6(9)10-2/h5,7H,3H2,1-2H3/t5-,7-/m1/s1.
What are the key properties of methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate?
methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate has a molecular weight of 206.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate is sourced from PubChem (CID 10998176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).