Dioxylium phosphate
Basic information
- CAS
5667-46-9- Standard SMILES
CCOc1ccc(Cc2[nH+]c(C)cc3cc(OC)c(OC)cc23)cc1OC.O=P([O-])(O)O- InChIKey
YZKZXTBSUSEYQZ-UHFFFAOYSA-N- Molecular formula
- C22H28NO8P
- Average molar mass
- 465.4 g/mol
- Monoisotopic mass
- 465.15525385
Overview
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Names & identifiers
- Preferred name
- Dioxylium phosphate
- IUPAC
- dihydrogen phosphate;1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium
- English name
- DIOXYLINEPHOSPHATE
- Molecular formula
- C22H25NO4.H3O4P
- Molecular weight
- 465.436
Names & synonyms
Dioxylium phosphate6670-95-71-(4-Ethoxy-3-methoxybenzyl)-6,7-dimethoxy-3-methylisoquinoline phosphateIsoquinoline, 1-((4-ethoxy-3-methoxyphenyl)methyl)-6,7-dimethoxy-3-methyl-, phosphateISOQUINOLINE, 1-(4-ETHOXY-3-METHOXYBENZYL)-6,7-DIMETHOXY-3-METHYL-, PHOSPHATEPaveril phosphateDIOXYLINEPHOSPHATE1-(4-Ethoxy-3-methoxybenzyl)-6,7-dimethoxy-3-methylisoquinoline/phosphoric acid,(1:x)
Database identifiers
- CAS
5667-46-9、6670-95-7- PubChem CID
- 23140
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 498
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