7-Chloro-5-nitro-3-(2,3,4-tri-o-benzoylpentopyranosyl)-1,3-benzoxazol-2(3h)-one
Basic information
- CAS
19231-22-2- Standard SMILES
O=C(OC1COC(n2c(=O)oc3c(Cl)cc([N+](=O)[O-])cc32)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1- InChIKey
WEAGHRCJBNUSEH-UHFFFAOYSA-N- Molecular formula
- C33H23ClN2O11
- Average molar mass
- 659 g/mol
- Monoisotopic mass
- 658.0990372
Names & identifiers
- Preferred name
- 7-Chloro-5-nitro-3-(2,3,4-tri-o-benzoylpentopyranosyl)-1,3-benzoxazol-2(3h)-one
- IUPAC
- [4,5-dibenzoyloxy-6-(7-chloro-5-nitro-2-oxo-1,3-benzoxazol-3-yl)oxan-3-yl] benzoate
Names & synonyms
19231-22-2NSC878517-chloro-5-nitro-3-(2,3,4-tri-o-benzoylpentopyranosyl)-1,3-benzoxazol-2(3h)-oneDTXSID20293215NSC-87851
Database identifiers
- CAS
19231-22-2- PubChem CID
- 258644
- DTXSID
DTXSID20293215
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,160
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