ChemSpider 2D Image | Ethyl (3xi,6R)-3,6-anhydro-2-deoxy-2-(ethoxymethylene)-4,5-O-isopropylidene-6-[(trityloxy)methyl]-D-erythro-hexonate | C34H38O7

Ethyl (3ξ,6R)-3,6-anhydro-2-deoxy-2-(ethoxymethylene)-4,5-O-isopropylidene-6-[(trityloxy)methyl]-D-erythro-hexonate

  • Molecular FormulaC34H38O7
  • Average mass558.661 Da
  • Monoisotopic mass558.261780 Da
  • ChemSpider ID10575489

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3ξ,6R)-3,6-Anhydro-2-désoxy-2-(éthoxyméthylène)-4,5-O-isopropylidène-6-[(trityloxy)méthyl]-D-érythro-hexonate d'éthyle [French] [ACD/IUPAC Name]
D-ribo-Heptonic acid, 3,6-anhydro-2-deoxy-2-(ethoxymethylene)-4,5-O-(1-methylethylidene)-7-O-(triphenylmethyl)-, ethyl ester, (3ξ)- [ACD/Index Name]
Ethyl (3ξ,6R)-3,6-anhydro-2-deoxy-2-(ethoxymethylene)-4,5-O-isopropylidene-6-[(trityloxy)methyl]-D-erythro-hexonate [ACD/IUPAC Name]
Ethyl-(3ξ,6R)-3,6-anhydro-2-desoxy-2-(ethoxymethylen)-4,5-O-isopropyliden-6-[(trityloxy)methyl]-D-erythro-hexonat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 657.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 273.2±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 154.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 302382.06
ACD/KOC (pH 5.5): 291444.75
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 302382.06
ACD/KOC (pH 7.4): 291444.75
Polar Surface Area: 72 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 486.1±3.0 cm3

Click to predict properties on the Chemicalize site


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