ChemSpider 2D Image | Tetramethyl (3aR,6aR)-2,5-dihydroxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate | C16H18O10

Tetramethyl (3aR,6aR)-2,5-dihydroxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate

  • Molecular FormulaC16H18O10
  • Average mass370.308 Da
  • Monoisotopic mass370.089996 Da
  • ChemSpider ID60599708

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3aR,6aR)-2,5-Dihydroxy-1,3a,4,6a-tétrahydro-1,3,4,6-pentalènetétracarboxylate de tétraméthyle [French] [ACD/IUPAC Name]
1,3,4,6-Pentalenetetracarboxylic acid, 1,3a,4,6a-tetrahydro-2,5-dihydroxy-, tetramethyl ester, (3aR,6aR)- [ACD/Index Name]
Tetramethyl (3aR,6aR)-2,5-dihydroxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate [ACD/IUPAC Name]
Tetramethyl-(3aR,6aR)-2,5-dihydroxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalentetracarboxylat [German] [ACD/IUPAC Name]
(3aR,6aR)-tetramethyl 2,5-dihydroxy-1,3a,4,6a-tetrahydropentalene-1,3,4,6-tetracarboxylate
(3aR,6aR)-tetramethyl 2,5-dihydroxy-1,3a,4,6a-tetrahydropentalene-1,3,4,6-tetracarboxylate(WX112183)

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 521.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 91.4±6.0 kJ/mol
    Flash Point: 187.3±23.6 °C
    Index of Refraction: 1.574
    Molar Refractivity: 81.1±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): -0.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.43
    ACD/LogD (pH 7.4): -2.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 146 Å2
    Polarizability: 32.2±0.5 10-24cm3
    Surface Tension: 65.7±3.0 dyne/cm
    Molar Volume: 245.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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