ChemSpider 2D Image | (2'R,3a'R,4S,7'S,7a'R)-2'-{(1R,2R)-2-[(Benzyloxy)methyl]cyclopropyl}-7'-(4-biphenylylmethoxy)-2,2-dimethyltetrahydrospiro[1,3-dioxolane-4,6'-[1,3]dioxolo[4,5-c]pyran] | C34H38O7

(2'R,3a'R,4S,7'S,7a'R)-2'-{(1R,2R)-2-[(Benzyloxy)methyl]cyclopropyl}-7'-(4-biphenylylmethoxy)-2,2-dimethyltetrahydrospiro[1,3-dioxolane-4,6'-[1,3]dioxolo[4,5-c]pyran]

  • Molecular FormulaC34H38O7
  • Average mass558.661 Da
  • Monoisotopic mass558.261780 Da
  • ChemSpider ID8183504

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2'R,3a'R,4S,7'S,7a'R)-2'-{(1R,2R)-2-[(Benzyloxy)methyl]cyclopropyl}-7'-(4-biphenylylmethoxy)-2,2-dimethyltetrahydrospiro[1,3-dioxolane-4,6'-[1,3]dioxolo[4,5-c]pyran] [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: 656.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 250.9±31.4 °C
Index of Refraction: 1.618
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 7.46
ACD/BCF (pH 5.5): 276108.41
ACD/KOC (pH 5.5): 273085.94
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 276108.41
ACD/KOC (pH 7.4): 273085.94
Polar Surface Area: 65 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 439.8±5.0 cm3

Click to predict properties on the Chemicalize site


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