ChemSpider 2D Image | (1R,2S,3S,4S,5R,6S)-3,6-Bis(benzyloxy)-4,5-dihydroxy-1,2-cyclohexanediyl dibenzoate | C34H32O8

(1R,2S,3S,4S,5R,6S)-3,6-Bis(benzyloxy)-4,5-dihydroxy-1,2-cyclohexanediyl dibenzoate

  • Molecular FormulaC34H32O8
  • Average mass568.613 Da
  • Monoisotopic mass568.209717 Da
  • ChemSpider ID9094058

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3S,4S,5R,6S)-3,6-Bis(benzyloxy)-4,5-dihydroxy-1,2-cyclohexandiyl-dibenzoat [German] [ACD/IUPAC Name]
(1R,2S,3S,4S,5R,6S)-3,6-Bis(benzyloxy)-4,5-dihydroxy-1,2-cyclohexanediyl dibenzoate [ACD/IUPAC Name]
1,2,4,5-Cyclohexanetetrol, 3,6-bis(phenylmethoxy)-, 1,2-dibenzoate, (1R,2S,3S,4S,5R,6S)- [ACD/Index Name]
Dibenzoate de (1R,2S,3S,4S,5R,6S)-3,6-bis(benzyloxy)-4,5-dihydroxy-1,2-cyclohexanediyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 220.5±25.0 °C
Index of Refraction: 1.646
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.78
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42597.59
ACD/KOC (pH 5.5): 71663.27
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42597.21
ACD/KOC (pH 7.4): 71662.64
Polar Surface Area: 112 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 427.8±5.0 cm3

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