Basic information
- CAS
54420-22-3- Standard SMILES
CO[C@@]1(COC(C)=O)OC[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
RXYNMOMIMSXMKK-WOPDTQHZSA-N- Molecular formula
- C12H18O8
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.10016753
Names & identifiers
- Preferred name
- alpha-D-threo-2-Pentulofuranoside, methyl, triacetate
- IUPAC
- [(2S,3S,4R)-3,4-diacetyloxy-2-methoxyoxolan-2-yl]methyl acetate
Names & synonyms
alpha-D-threo-2-Pentulofuranoside, methyl, triacetate54420-22-3DTXSID40202829Methyl 1,3,4-tri-O-acetyl-alpha-D-xylulofuranoside
Database identifiers
- CAS
54420-22-3- PubChem CID
- 148690
- DTXSID
DTXSID40202829
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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