4-Hydroxy-2,3,5-tris(phenylmethoxy)pentanal
Basic information
- CAS
77870-89-4- Standard SMILES
O=CC(OCc1ccccc1)C(OCc1ccccc1)C(O)COCc1ccccc1- InChIKey
XUCNSIRQCBFBHF-UHFFFAOYSA-N- Molecular formula
- C26H28O5
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.19367399
Names & identifiers
- Preferred name
- 4-Hydroxy-2,3,5-tris(phenylmethoxy)pentanal
- IUPAC
- 4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal
Names & synonyms
77870-89-44-hydroxy-2,3,5-tris(phenylmethoxy)pentanalNSC2269102,3,5-Tri-O-benzylpentoseSCHEMBL19970649DTXSID00310414NSC-2269102,3,5-tribenzyloxy-4-hydroxy-pentanal
Database identifiers
- CAS
77870-89-4- PubChem CID
- 313287
- DTXSID
DTXSID00310414
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 466
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Related reactions
2 records
Compound notes
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