ChemSpider 2D Image | (3xi)-4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-O-trityl-D-xylo-hexitol | C30H32O6

(3ξ)-4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-O-trityl-D-xylo-hexitol

  • Molecular FormulaC30H32O6
  • Average mass488.572 Da
  • Monoisotopic mass488.219879 Da
  • ChemSpider ID111309245

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3ξ)-4-O-Acetyl-2,5-anhydro-1,3-O-isopropyliden-6-O-trityl-D-xylo-hexitol [German] [ACD/IUPAC Name]
(3ξ)-4-O-Acetyl-2,5-anhydro-1,3-O-isopropylidene-6-O-trityl-D-xylo-hexitol [ACD/IUPAC Name]
(3ξ)-4-O-Acétyl-2,5-anhydro-1,3-O-isopropylidène-6-O-trityl-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Heξtol, 2,5-anhydro-1,3-O-(1-methylethylidene)-6-O-(triphenylmethyl)-, acetate, (3ξ)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 574.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 243.1±30.2 °C
Index of Refraction: 1.603
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 63236.97
ACD/KOC (pH 5.5): 95085.88
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 63236.97
ACD/KOC (pH 7.4): 95085.88
Polar Surface Area: 63 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 397.3±5.0 cm3

Click to predict properties on the Chemicalize site


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