Agn-PC-0jpsrs
Basic information
- CAS
150769-03-2- Standard SMILES
C1CO1.C1CO1.C1CO1.CC1CO1.CC1CO1.CC1CO1.O=C1C=CC(=O)O1.OCC(O)CO- InChIKey
PVPJENTXULLTNP-UHFFFAOYSA-N- Molecular formula
- C22H40O12
- Average molar mass
- 496.5 g/mol
- Monoisotopic mass
- 496.25197671
Names & identifiers
- Preferred name
- Agn-PC-0jpsrs
- IUPAC
- furan-2,5-dione;tris(2-methyloxirane);oxirane;propane-1,2,3-triol
Names & synonyms
AGN-PC-0JPSRSDTXSID20276624150769-03-2
Database identifiers
- CAS
150769-03-2- PubChem CID
- 173085
- DTXSID
DTXSID20276624
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 191
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Related reactions
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Compound notes
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