ChemSpider 2D Image | (S)-(2-Formyl-3,4-dimethoxyphenyl)[(5R)-4-hydroxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl acetate | C23H25NO8

(S)-(2-Formyl-3,4-dimethoxyphenyl)[(5R)-4-hydroxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl acetate

  • Molecular FormulaC23H25NO8
  • Average mass443.447 Da
  • Monoisotopic mass443.158020 Da
  • ChemSpider ID76963327

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(S)-(2-Formyl-3,4-dimethoxyphenyl)[(5R)-4-hydroxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin-5-yl]methyl-acetat [German] [ACD/IUPAC Name]
(S)-(2-Formyl-3,4-dimethoxyphenyl)[(5R)-4-hydroxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl acetate [ACD/IUPAC Name]
Acétate de (S)-(2-formyl-3,4-diméthoxyphényl)[(5R)-4-hydroxy-6-méthyl-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléin-5-yl]méthyle [French] [ACD/IUPAC Name]
Benzaldehyde, 6-[(S)-(acetyloxy)[(5R)-5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxy- [ACD/Index Name]
(5R, 6S)-5-[(acetyloxy)(2-formyl-3,4- dimethoxyphenyl) methyl]-4-hydroxy-6-methyl- 2,5,6,7,8- pentahydro- [1,3]dioxolo[4,5- g]isoquinolin-6-ium
3-O-acetyl-4'-O-demethylpapaveroxine
4'-O-desmethyl-3-O-acetylpapaveroxine
  • Miscellaneous

    • Chemical Class:

      A benzylisoquinoline alkaloid that is 8-hydroxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline which is substituted at the 1-pro-R position by an (acetyloxy)(; 2-formyl-3,4-dimethoxyphenyl )methyl group. An intermediate in the biosynthesis of noscarpine in the opium poppy, Papaver somniferum. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:141643
      A benzylisoquinoline alkaloid that is 8-hydroxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline which is substituted at the 1-pro-R position by an (acetyloxy)(2-formyl-3,4-dimethoxyphenyl)m ethyl group. An intermediate in the biosynthesis of noscarpine in the opium poppy, Papaver somniferum. ChEBI CHEBI:141643

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 556.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 290.1±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 2.76
ACD/KOC (pH 5.5): 37.55
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 23.91
ACD/KOC (pH 7.4): 325.07
Polar Surface Area: 104 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 332.1±3.0 cm3

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