Basic information
- CAS
19231-16-4- Standard SMILES
O=C(OC1COC(n2c(=O)oc3ccc(Cl)cc32)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1- InChIKey
PUIKTJWNEDIGKC-UHFFFAOYSA-N- Molecular formula
- C33H24ClNO9
- Average molar mass
- 614 g/mol
- Monoisotopic mass
- 613.113959
Names & identifiers
- Preferred name
- 5-Chloro-3-(2,3,4-tri-o-benzoylpentopyranosyl)-1,3-benzoxazol-2(3h)-one
- IUPAC
- [4,5-dibenzoyloxy-6-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)oxan-3-yl] benzoate
Names & synonyms
19231-16-4NSC878485-chloro-3-(2,3,4-tri-o-benzoylpentopyranosyl)-1,3-benzoxazol-2(3h)-oneDTXSID40940895NSC-87848
Database identifiers
- CAS
19231-16-4- PubChem CID
- 258641
- DTXSID
DTXSID40940895
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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