2,5-DI-O-Methylene-L-iditol, diacetate
Basic information
- CAS
5349-04-2- Standard SMILES
CC(=O)OCC1OCOC2C(COC(C)=O)OCOC12- InChIKey
DLKUXUOKMVCLLB-UHFFFAOYSA-N- Molecular formula
- C12H18O8
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.10016753
Names & identifiers
- Preferred name
- 2,5-DI-O-Methylene-L-iditol, diacetate
- IUPAC
- [4-(acetyloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl acetate
Names & synonyms
NSC13772,5-DI-O-METHYLENE-L-IDITOL, DIACETATEDLKUXUOKMVCLLB-UHFFFAOYSA-NNSC-13772,4:3,5-Dimethylene-l-iditol diacetate5349-04-2
Database identifiers
- CAS
5349-04-2- PubChem CID
- 219717
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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