ChemSpider 2D Image | Tetramethyl (1R,5R)-2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate | C17H20O10

Tetramethyl (1R,5R)-2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate

  • Molecular FormulaC17H20O10
  • Average mass384.335 Da
  • Monoisotopic mass384.105652 Da
  • ChemSpider ID22870760

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-2,6-Dihydroxybicyclo[3.3.1]nona-2,6-diène-1,3,5,7-tétracarboxylate de tétraméthyle [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylic acid, 2,6-dihydroxy-, tetramethyl ester, (1R,5R)- [ACD/Index Name]
Tetramethyl (1R,5R)-2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate [ACD/IUPAC Name]
Tetramethyl-(1R,5R)-2,6-dihydroxybicyclo[3.3.1]nona-2,6-dien-1,3,5,7-tetracarboxylat [German] [ACD/IUPAC Name]
(1R,5R)-tetramethyl 2,6-dihydroxybicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylate
1212207-59-4 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 524.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 91.8±6.0 kJ/mol
    Flash Point: 185.4±23.6 °C
    Index of Refraction: 1.591
    Molar Refractivity: 85.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.42
    ACD/LogD (pH 5.5): 0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.61
    ACD/LogD (pH 7.4): -1.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 146 Å2
    Polarizability: 33.9±0.5 10-24cm3
    Surface Tension: 73.3±3.0 dyne/cm
    Molar Volume: 253.2±3.0 cm3

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