ChemSpider 2D Image | (3aS,4S,6R,6aS)-6-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl acetate (non-preferred name) | C14H22O7

(3aS,4S,6R,6aS)-6-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl acetate (non-preferred name)

  • Molecular FormulaC14H22O7
  • Average mass302.320 Da
  • Monoisotopic mass302.136566 Da
  • ChemSpider ID58190175

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,4S,6R,6aS)-6-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl acetate (non-preferred name) [ACD/IUPAC Name]
(3aS,4S,6R,6aS)-6-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl-acetat (non-preferred name) [German] [ACD/IUPAC Name]
Acétate de (3aS,4S,6R,6aS)-6-[(4S)-2,2-diméthyl-1,3-dioxolan-4-yl]-2,2-diméthyltétrahydrofuro[3,4-d][1,3]dioxol-4-yle (non-preferred name) [French] [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: 358.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 155.1±27.9 °C
Index of Refraction: 1.502
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.57
ACD/KOC (pH 5.5): 292.54
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.57
ACD/KOC (pH 7.4): 292.54
Polar Surface Area: 72 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 241.3±5.0 cm3

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