ChemSpider 2D Image | (3aS,6S,6aS)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3a-(hydroxymethyl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one | C13H20O7

(3aS,6S,6aS)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3a-(hydroxymethyl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one

  • Molecular FormulaC13H20O7
  • Average mass288.294 Da
  • Monoisotopic mass288.120911 Da
  • ChemSpider ID21173906

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,6S,6aS)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3a-(hydroxymethyl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-on [German] [ACD/IUPAC Name]
(3aS,6S,6aS)-6-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3a-(hydroxymethyl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one [ACD/IUPAC Name]
(3aS,6S,6aS)-6-[(4R)-2,2-Diméthyl-1,3-dioxolan-4-yl]-3a-(hydroxyméthyl)-2,2-diméthyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one [French] [ACD/IUPAC Name]
864846-17-3 [RN]
2C-Hydroxymethyl-2,3:5,6-di-O-isopropylidene-D-talono-1,4-lactone
MFCD09750772 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 415.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±6.0 kJ/mol
Flash Point: 154.2±22.2 °C
Index of Refraction: 1.492
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.66
ACD/KOC (pH 5.5): 88.02
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 88.02
Polar Surface Area: 83 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 227.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement