ChemSpider 2D Image | (1R,2S,3S,4S,5S,6R)-2,6-Bis(acetoxymethyl)-1,2,3,4,5-cyclohexanepentayl pentaacetate | C22H30O14

(1R,2S,3S,4S,5S,6R)-2,6-Bis(acetoxymethyl)-1,2,3,4,5-cyclohexanepentayl pentaacetate

  • Molecular FormulaC22H30O14
  • Average mass518.465 Da
  • Monoisotopic mass518.163574 Da
  • ChemSpider ID9722871

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3S,4S,5S,6R)-2,6-Bis(acetoxymethyl)-1,2,3,4,5-cyclohexanepentayl pentaacetate [ACD/IUPAC Name]
(1R,2S,3S,4S,5S,6R)-2,6-Bis(acetoxymethyl)-1,2,3,4,5-cyclohexanpentayl-pentaacetat [German] [ACD/IUPAC Name]
1,2,3,4,5-Cyclohexanepentol, 2,6-bis[(acetyloxy)methyl]-, pentaacetate, (1R,2S,3S,4S,5S,6R)- [ACD/Index Name]
Pentaacétate de (1R,2S,3S,4S,5S,6R)-2,6-bis(acétoxyméthyl)-1,2,3,4,5-cyclohexanepentayle [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: 525.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 221.8±30.2 °C
Index of Refraction: 1.493
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.68
ACD/KOC (pH 5.5): 293.70
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.68
ACD/KOC (pH 7.4): 293.70
Polar Surface Area: 184 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 394.7±5.0 cm3

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