ChemSpider 2D Image | (2R,3R)-3-{4-[2-(Benzyloxy)-5-(3-ethoxy-3-oxopropyl)phenoxy]phenyl}-2,3-dihydroxypropyl pivalate | C32H38O8

(2R,3R)-3-{4-[2-(Benzyloxy)-5-(3-ethoxy-3-oxopropyl)phenoxy]phenyl}-2,3-dihydroxypropyl pivalate

  • Molecular FormulaC32H38O8
  • Average mass550.639 Da
  • Monoisotopic mass550.256653 Da
  • ChemSpider ID9267993

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-3-{4-[2-(Benzyloxy)-5-(3-ethoxy-3-oxopropyl)phenoxy]phenyl}-2,3-dihydroxypropyl pivalate [ACD/IUPAC Name]
(2R,3R)-3-{4-[2-(Benzyloxy)-5-(3-ethoxy-3-oxopropyl)phenoxy]phenyl}-2,3-dihydroxypropylpivalat [German] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-[4-[(1R,2R)-3-(2,2-dimethyl-1-oxopropoxy)-1,2-dihydroxypropyl]phenoxy]-4-(phenylmethoxy)-, ethyl ester [ACD/Index Name]
Pivalate de (2R,3R)-3-{4-[2-(benzyloxy)-5-(3-éthoxy-3-oxopropyl)phénoxy]phényl}-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
(2R,3R)-3-{4-[2-(benzyloxy)-5-(3-ethoxy-3-oxopropyl)phenoxy]phenyl}-2,3-dihydroxypropyl 2,2-dimethylpropanoate
172919-06-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 214.6±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1906.42
ACD/KOC (pH 5.5): 7754.91
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1906.41
ACD/KOC (pH 7.4): 7754.89
Polar Surface Area: 112 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 462.1±3.0 cm3

Click to predict properties on the Chemicalize site


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