ChemSpider 2D Image | (2R,3S)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(3,4,5-triacetoxybenzoate) | C36H32O16

(2R,3S)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(3,4,5-triacetoxybenzoate)

  • Molecular FormulaC36H32O16
  • Average mass720.630 Da
  • Monoisotopic mass720.169006 Da
  • ChemSpider ID24644567

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(3,4,5-triacetoxybenzoate) [ACD/IUPAC Name]
(2R,3S)-1,2,3,4-Tetrahydronaphthalin-2,3-diyl-bis(3,4,5-triacetoxybenzoat) [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-tris(acetyloxy)-, (2R,3S)-1,2,3,4-tetrahydro-2,3-naphthalenediyl ester [ACD/Index Name]
Bis(3,4,5-triacétoxybenzoate) de (2R,3S)-1,2,3,4-tétrahydronaphtalène-2,3-diyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 831.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 337.2±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 502.56
ACD/KOC (pH 5.5): 2986.18
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 502.56
ACD/KOC (pH 7.4): 2986.18
Polar Surface Area: 210 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 501.9±5.0 cm3

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