Basic information
- CAS
15909-68-9- Standard SMILES
COC(=O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
JWILWRLEBBNTFH-WDCZJNDASA-N- Molecular formula
- C6H12O6
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.0633881
Names & identifiers
- Preferred name
- Methyl arabinonate
- IUPAC
- methyl (2S,3R,4R)-2,3,4,5-tetrahydroxypentanoate
- English name
- D-Arabinoic acid methyl ester
- Molecular formula
- C6H12O6
- Molecular weight
- 180.16
Names & synonyms
Methyl arabinonateArabinonic acid, methyl ester23009-76-9X97BTQ3ZKTNSC-80653GlyTouCan:G13992OGRefChem:1048404G13992OG245-379-5D-Arabinonic acid, methyl ester15909-68-9methyl d-arabinonate
Show more names
(2S,3R,4R)-2,3,4,5-Tetrahydroxypentanoic acid methyl ester
D-Arabinoic acid methyl estermethyl (2S,3R,4R)-2,3,4,5-tetrahydroxypentanoateEINECS 245-379-5NSC 80653UNII-X97BTQ3ZKTSCHEMBL5579280DTXSID70884859JWILWRLEBBNTFH-WDCZJNDASA-N
Database identifiers
- CAS
15909-68-9、23009-76-9- PubChem CID
- 89959
- DTXSID
DTXSID70884859- UNII
- X97BTQ3ZKT
- EC Number
- 245-379-5
- Nikkaji
- J312.549A
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 137 · 137-139 °C
- Boiling point
- 408.7 · 408.7±38.0 °C(Predicted)
- Density
- 1.474 · 1.474±0.06 g/cm3(Predicted)
- pka
- 12.12 · 12.12±0.20(Predicted)
- EPA Substance Registry System
- D-Arabinonic acid, methyl ester (15909-68-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
D-Arabinonic acid, methyl ester: INACTIVE
Arabinonic acid, methyl ester: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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