methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate

C9H14O6S — CID 155930847

IUPACmethyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@@H](OC(=O)[C@@H](C)OC)CS1
InChIInChI=1S/C9H14O6S/c1-5(12-2)7(10)14-6-4-16-9(15-6)8(11)13-3/h5-6,9H,4H2,1-3H3/t5-,6-,9-/m1/s1
InChIKeyWVJRFACNIHOGDG-HCVRKRLWSA-N
MW250.27 g/mol
LogP0.15
Rot. Bonds4

About methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate

methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate (PubChem CID 155930847) has the molecular formula C9H14O6S and a molecular weight of 250.27 g/mol. Its IUPAC name is methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate
PubChem CID155930847
Molecular FormulaC9H14O6S
Molecular Weight250.27 g/mol
Exact Mass250.05
IUPAC Namemethyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@@H](OC(=O)[C@@H](C)OC)CS1
InChIInChI=1S/C9H14O6S/c1-5(12-2)7(10)14-6-4-16-9(15-6)8(11)13-3/h5-6,9H,4H2,1-3H3/t5-,6-,9-/m1/s1
InChIKeyWVJRFACNIHOGDG-HCVRKRLWSA-N
XLogP0.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate with MolForge

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Related Compounds

(5-Acetyloxy-1,3-oxathiolan-2-yl)methyl acetate
CID 22607113
propan-2-yl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate
CID 141562382
methyl (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate
CID 10998176
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
(1-Ethylsulfanylcarbonyloxy-2-oxo-2-propan-2-yloxyethyl) propanoate
CID 9856877
(1-Ethylsulfanylcarbonyloxy-2-oxo-2-propan-2-yloxyethyl) 2-methylpropanoate
CID 9922104
(1-Ethylsulfanylcarbonyloxy-2-oxo-2-propan-2-yloxyethyl) 2,2-dimethylpropanoate
CID 9944374
Propionic acid ethoxycarbonyl-ethylsulfanylcarbonyloxy-methyl ester
CID 9965138
ethyl (2R,5S)-5-methoxycarbonyloxy-1,3-oxathiolane-2-carboxylate
CID 15462284
1-{[(1,3-Dioxolan-2-yl)methyl]sulfanyl}-3-oxobutan-2-yl acetate
CID 20443239

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate?
The IUPAC name of methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate (CID 155930847) is methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate.
What is the SMILES notation for methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate?
The canonical SMILES for methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate is COC(=O)[C@@H]1O[C@@H](OC(=O)[C@@H](C)OC)CS1.
What is the InChIKey of methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate?
The InChIKey is WVJRFACNIHOGDG-HCVRKRLWSA-N. The full InChI is InChI=1S/C9H14O6S/c1-5(12-2)7(10)14-6-4-16-9(15-6)8(11)13-3/h5-6,9H,4H2,1-3H3/t5-,6-,9-/m1/s1.
What are the key properties of methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate?
methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate has a molecular weight of 250.27 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R)-5-[(2R)-2-methoxypropanoyl]oxy-1,3-oxathiolane-2-carboxylate is sourced from PubChem (CID 155930847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).