ChemSpider 2D Image | (2'S,3'S,10b'R)-2'-(3,4-Dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione | C29H32N2O7

(2'S,3'S,10b'R)-2'-(3,4-Dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione

  • Molecular FormulaC29H32N2O7
  • Average mass520.574 Da
  • Monoisotopic mass520.220947 Da
  • ChemSpider ID10178177

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2'S,3'S,10b'R)-2'-(3,4-Dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione [ACD/IUPAC Name]
Spiro[1,3-dioxane-5,1'(10'bH)-pyrrolo[2,1-a]phthalazine]-4,6-dione, 2'-(3,4-dimethoxyphenyl)-3'-(2,2-dimethyl-1-oxopropyl)-2',3'-dihydro-2,2-dimethyl-, (2'S,3'S,10b'R)- [ACD/Index Name]
(2'S,3'S,10'bR)-2'-(3,4-dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2,2-dimethylspiro[1,3-dioxane-5,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]phthalazine]-4,6-dione
1164550-73-5 [RN]

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

MLS000590121 [DBID]
SMR000219324 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 735.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.3±3.0 kJ/mol
    Flash Point: 398.4±32.9 °C
    Index of Refraction: 1.612
    Molar Refractivity: 138.9±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 4.23
    ACD/BCF (pH 5.5): 965.79
    ACD/KOC (pH 5.5): 4766.23
    ACD/LogD (pH 7.4): 4.23
    ACD/BCF (pH 7.4): 965.83
    ACD/KOC (pH 7.4): 4766.42
    Polar Surface Area: 104 Å2
    Polarizability: 55.1±0.5 10-24cm3
    Surface Tension: 45.9±7.0 dyne/cm
    Molar Volume: 399.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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