ChemSpider 2D Image | MFCD02666222 | C17H20O10

MFCD02666222

  • Molecular FormulaC17H20O10
  • Average mass384.335 Da
  • Monoisotopic mass384.105652 Da
  • ChemSpider ID21492113

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,4R,5S,8S)-3,7-Dihydroxybicyclo[3.3.1]nona-2,6-diène-2,4,6,8-tétracarboxylate de tétraméthyle [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]nona-2,6-diene-2,4,6,8-tetracarboxylic acid, 3,7-dihydroxy-, tetramethyl ester, (1S,4R,5S,8S)- [ACD/Index Name]
MFCD02666222
Tetramethyl (1S,4R,5S,8S)-3,7-dihydroxybicyclo[3.3.1]nona-2,6-diene-2,4,6,8-tetracarboxylate [ACD/IUPAC Name]
Tetramethyl-(1S,4R,5S,8S)-3,7-dihydroxybicyclo[3.3.1]nona-2,6-dien-2,4,6,8-tetracarboxylat [German] [ACD/IUPAC Name]
tetramethyl (1S,4R,5S,8R)-3,7-dihydroxybicyclo[3.3.1]nona-2,6-diene-2,4,6,8-tetracarboxylate
TETRAMETHYL 3,7-DIHYDROXYBICYCLO(3.3.1)-NONA-2,6-DIEN-2,4,6,8-4COOH

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

Density: 1.5±0.1 g/cm3
Boiling Point: 517.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 182.7±23.6 °C
Index of Refraction: 1.564
Molar Refractivity: 85.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.37
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 263.7±3.0 cm3

Click to predict properties on the Chemicalize site


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