Basic information
- CAS
120085-65-6- Standard SMILES
CC(=O)O[C@H]1C=C(C#N)OC[C@H]1OC(C)=O- InChIKey
KMXDTKJIUISDND-VHSXEESVSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.06372245
Names & identifiers
- Preferred name
- 4,5-Di-O-acetyl-2,6-anhydro-3-deoxy-D-erythro-hex-2-enononitrile
- IUPAC
- [(3R,4S)-4-acetyloxy-6-cyano-3,4-dihydro-2H-pyran-3-yl] acetate
- English name
- 4,5-DI-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-ERYTHRO-HEX-2-ENONONITRILE
- Molecular formula
- C10H11NO5
- Molecular weight
- 225.2
Names & synonyms
120085-65-64,5-Di-O-acetyl-2,6-anhydro-3-deoxy-D-erythro-hex-2-enononitrile[(3R,4S)-4-acetyloxy-6-cyano-3,4-dihydro-2H-pyran-3-yl] acetateMD00724D-erythro-Hex-2-enononitrile, 2,6-anhydro-3-deoxy-, 4,5-diacetate (9CI)
Database identifiers
- CAS
120085-65-6- PubChem CID
- 14375467
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 329.9 · 329.9±42.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers5 total
PARAGOS[email protected]
CMS-CHEMICAL[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Carbosynth[email protected]
Carbosynth Limited[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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