ChemSpider 2D Image | Tetramethyl (1R,5R,6S,9S)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate | C17H22O10

Tetramethyl (1R,5R,6S,9S)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate

  • Molecular FormulaC17H22O10
  • Average mass386.351 Da
  • Monoisotopic mass386.121307 Da
  • ChemSpider ID28496614
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(1R,5R,6S,9S)-3,5-Dihydroxybicyclo[3.3.1]non-2-ène-2,4,6,9-tétracarboxylate de tétraméthyle [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylic acid, 3,5-dihydroxy-, tetramethyl ester, (1R,5R,6S,9S)- [ACD/Index Name]
Tetramethyl (1R,5R,6S,9S)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate [ACD/IUPAC Name]
Tetramethyl-(1R,5R,6S,9S)-3,5-dihydroxybicyclo[3.3.1]non-2-en-2,4,6,9-tetracarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 526.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.1±6.0 kJ/mol
Flash Point: 185.1±23.6 °C
Index of Refraction: 1.552
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.89
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 269.1±3.0 cm3

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