2-Hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Basic information
- CAS
145194-49-6- Standard SMILES
CC1=C(C(=O)OCCO)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1- InChIKey
JXJPWXHQYJJLNA-UHFFFAOYSA-N- Molecular formula
- C21H27N2O8P
- Average molar mass
- 466.4 g/mol
- Monoisotopic mass
- 466.15050282
Names & identifiers
- Preferred name
- 2-Hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
- IUPAC
- 2-hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
145194-49-6DTXSID709325262-Hydroxyethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylateRefChem:1063427DTXCID0013612153-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-, 2-hydroxyethyl ester, P-oxide
Database identifiers
- CAS
145194-49-6- PubChem CID
- 3072941
- DTXSID
DTXSID70932526- Nikkaji
- J673.503G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 862
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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