ChemSpider 2D Image | 4-[(2'R,3'R)-3'-(2,2-Dimethylpropanoyl)-2,2-dimethyl-4,6-dioxo-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazin]-2'-yl]-2-methoxyphenyl acetate | C30H32N2O8

4-[(2'R,3'R)-3'-(2,2-Dimethylpropanoyl)-2,2-dimethyl-4,6-dioxo-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazin]-2'-yl]-2-methoxyphenyl acetate

  • Molecular FormulaC30H32N2O8
  • Average mass548.584 Da
  • Monoisotopic mass548.215881 Da
  • ChemSpider ID22858630

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

4-[(2'R,3'R)-3'-(2,2-Dimethylpropanoyl)-2,2-dimethyl-4,6-dioxo-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazin]-2'-yl]-2-methoxyphenyl acetate [ACD/IUPAC Name]
Spiro[1,3-dioxane-5,1'(10'bH)-pyrrolo[2,1-a]phthalazine]-4,6-dione, 2'-[4-(acetyloxy)-3-methoxyphenyl]-3'-(2,2-dimethyl-1-oxopropyl)-2',3'-dihydro-2,2-dimethyl-, (2'R,3'R)- [ACD/Index Name]
[4-[(2'R,3'R)-3'-(2,2-dimethylpropanoyl)-2,2-dimethyl-4,6-dioxospiro[1,3-dioxane-5,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]phthalazine]-2'-yl]-2-methoxyphenyl] acetate
1177806-37-9 [RN]
4-((2'R,3'R)-2,2-dimethyl-4,6-dioxo-3'-pivaloyl-3',10b'-dihydro-2'H-spiro[[1,3]dioxane-5,1'-pyrrolo[2,1-a]phthalazin]-2'-yl)-2-methoxyphenyl acetate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 741.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.1±3.0 kJ/mol
    Flash Point: 402.2±32.9 °C
    Index of Refraction: 1.617
    Molar Refractivity: 144.3±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 3.95
    ACD/BCF (pH 5.5): 592.31
    ACD/KOC (pH 5.5): 3358.82
    ACD/LogD (pH 7.4): 3.95
    ACD/BCF (pH 7.4): 592.33
    ACD/KOC (pH 7.4): 3358.95
    Polar Surface Area: 121 Å2
    Polarizability: 57.2±0.5 10-24cm3
    Surface Tension: 47.6±7.0 dyne/cm
    Molar Volume: 412.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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