Methyl 2,5-anhydro-3-deoxy-3-(methoxycarbonyl)-2-thiopent-4-ulosonate
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Basic information
- CAS
38293-63-9- Standard SMILES
COC(=O)C1SCC(=O)C1C(=O)OC- InChIKey
BMEYAMNXPSFVFQ-UHFFFAOYSA-N- Molecular formula
- C8H10O5S
- Average molar mass
- 218.23 g/mol
- Monoisotopic mass
- 218.02489459
Names & identifiers
- Preferred name
- Methyl 2,5-anhydro-3-deoxy-3-(methoxycarbonyl)-2-thiopent-4-ulosonate
- IUPAC
- dimethyl 4-oxothiolane-2,3-dicarboxylate
- English name
- 4-OXOTETRAHYDROTHIOPHENE-2,3-DICARBOXYLIC ACID DIMETHYL ESTER
- Molecular formula
- C8H10O5S
- Molecular weight
- 218.23
Names & synonyms
38293-63-9DTXSID70380609Methyl 2,5-anhydro-3-deoxy-3-(methoxycarbonyl)-2-thiopent-4-ulosonateRefChem:353671DTXCID10331635dimethyl 4-oxotetrahydrothiophene-2,3-dicarboxylateDimethyl tetrahydro-4-oxothiophene-2,3-dicarboxylatedimethyl 4-oxothiolane-2,3-dicarboxylateMFCD002052044-Oxotetrahydrothiophene-2,3-dicarboxylate4-Oxo-tetrahydro-thiophene-2,3-dicarboxylic acid dimethyl esterSCHEMBL10362817
Show more names
AKOS 21012,3-diMethyl 4-oxothiolane-2,3-dicarboxylate4-oxothiolane-2,3-dicarboxylic acid dimethyl ester4-Oxotetrahydrothiophene-2,3-dicarboxylic aci dimethyl ester4-OXOTETRAHYDROTHIOPHENE-2,3-DICARBOXYLIC ACID DIMETHYL ESTER4-OXOTETRAHYDROTHIOPHENE-2,3-DICARBOXYLIC ACID DIMETHYL ESTER, 95+%2,3-Thiophenedicarboxylic acid, tetrahydro-4-oxo-, 2,3-dimethyl ester
BMEYAMNXPSFVFQ-UHFFFAOYSA-NSBB0955862,3-Thiophenedicarboxylicacid, tetrahydro-4-oxo-, dimethyl ester (7CI,9CI)AKOS000276830AKOS016843276SY1280893-Oxo-4,5-bismethoxycarbonyltetrahydrothiophenedimethyl 4-oxidanylidenethiolane-2,3-dicarboxylate
Database identifiers
- CAS
38293-63-9- PubChem CID
- 2777656
- DTXSID
DTXSID70380609- Nikkaji
- J916.389A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 130 °C · 130°C 1mm
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- pka
- 8.56 · 8.56±0.40(Predicted)
Related reactions
1 records
Compound notes
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