ChemSpider 2D Image | (3aR,6R,6aR)-3a-[(Benzyloxy)methyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one | C20H26O7

(3aR,6R,6aR)-3a-[(Benzyloxy)methyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one

  • Molecular FormulaC20H26O7
  • Average mass378.416 Da
  • Monoisotopic mass378.167847 Da
  • ChemSpider ID30654848

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,6R,6aR)-3a-[(Benzyloxy)methyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-on [German] [ACD/IUPAC Name]
(3aR,6R,6aR)-3a-[(Benzyloxy)methyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one [ACD/IUPAC Name]
(3aR,6R,6aR)-3a-[(Benzyloxy)méthyl]-6-[(4R)-2,2-diméthyl-1,3-dioxolan-4-yl]-2,2-diméthyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one [French] [ACD/IUPAC 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: 492.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 215.0±28.8 °C
Index of Refraction: 1.520
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.58
ACD/KOC (pH 5.5): 1156.70
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.58
ACD/KOC (pH 7.4): 1156.70
Polar Surface Area: 72 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 313.3±3.0 cm3

Click to predict properties on the Chemicalize site


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