ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (5aR,8aR)-5a,6,8,8a-tetrahydropyrrolo[3',4':3,4]pyrrolo[2,1-c][1,2,4]triazole-3,7(5H)-dicarboxylate | C17H26N4O4

Bis(2-methyl-2-propanyl) (5aR,8aR)-5a,6,8,8a-tetrahydropyrrolo[3',4':3,4]pyrrolo[2,1-c][1,2,4]triazole-3,7(5H)-dicarboxylate

  • Molecular FormulaC17H26N4O4
  • Average mass350.413 Da
  • Monoisotopic mass350.195404 Da
  • ChemSpider ID28600626

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5aR,8aR)-5a,6,8,8a-Tétrahydropyrrolo[3',4':3,4]pyrrolo[2,1-c][1,2,4]triazole-3,7(5H)-dicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (5aR,8aR)-5a,6,8,8a-tetrahydropyrrolo[3',4':3,4]pyrrolo[2,1-c][1,2,4]triazole-3,7(5H)-dicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(5aR,8aR)-5a,6,8,8a-tetrahydropyrrolo[3',4':3,4]pyrrolo[2,1-c][1,2,4]triazol-3,7(5H)-dicarboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3',4':3,4]pyrrolo[2,1-c]-1,2,4-triazole-3,7(5H)-dicarboxylic acid, 5a,6,8,8a-tetrahydro-, bis(1,1-dimethylethyl) ester, (5aR,8aR)- [ACD/Index Name]
(5ar,8ar)-di-tert-butyl 5a,6,8,8a-tetrahydropyrrolo[3,4:3,4]pyrrolo[2,1-c][1,2,4]triazole-3,7(5h)-dicarboxylate
1330764-67-4 [RN]
3b,4,6a,7-Tetrahydro-6H-2,3,5,7a-tetraaza-cyclopenta[a]pentalene-1,5-dicarboxylic acid 5-tert-butyl ester
5,10-di-tert-butyl (1R,8R)-3,4,6,10-tetraazatricyclo[6.3.0.0²,?]undeca-2,4-diene-5,10-dicarboxylate
AM804797
Cis-Di-Tert-Butyl 5A,6,8,8A-Tetrahydropyrrolo[3,4:3,4]Pyrrolo[2,1-C][1,2,4]Triazole-3,7(5H)-Dicarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 480.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.4±3.0 kJ/mol
    Flash Point: 244.1±31.5 °C
    Index of Refraction: 1.609
    Molar Refractivity: 91.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.54
    ACD/LogD (pH 5.5): 2.30
    ACD/BCF (pH 5.5): 33.13
    ACD/KOC (pH 5.5): 426.40
    ACD/LogD (pH 7.4): 2.30
    ACD/BCF (pH 7.4): 33.13
    ACD/KOC (pH 7.4): 426.41
    Polar Surface Area: 87 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 45.7±7.0 dyne/cm
    Molar Volume: 264.8±7.0 cm3

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