Basic information
- CAS
39798-08-8- Standard SMILES
CC1(C)OC2COC(COC(=O)c3ccc([N+](=O)[O-])cc3)C2O1- InChIKey
BXZDSSGKACPWCA-UHFFFAOYSA-N- Molecular formula
- C15H17NO7
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.10050188
Names & identifiers
- Preferred name
- 2,5-Anhydro-3,4-o-(1-methylethylidene)-1-o-(4-nitrobenzoyl)pentitol
- IUPAC
- (2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl 4-nitrobenzoate
Names & synonyms
39798-08-82,5-anhydro-3,4-o-(1-methylethylidene)-1-o-(4-nitrobenzoyl)pentitolNSC135299DTXSID50300183NSC-135299
Database identifiers
- CAS
39798-08-8- PubChem CID
- 282129
- DTXSID
DTXSID50300183
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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