ChemSpider 2D Image | 1,2-O-ISOPROPYLIDENE-D-MANNITOL | C9H18O6

1,2-O-ISOPROPYLIDENE-D-MANNITOL

  • Molecular FormulaC9H18O6
  • Average mass222.236 Da
  • Monoisotopic mass222.110336 Da
  • ChemSpider ID24590616

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,2-O-(1-Methylethylidene)-D-mannitol
1,2-O-Isopropyliden-D-mannitol [German] [ACD/IUPAC Name]
1,2-O-ISOPROPYLIDENE-D-MANNITOL [ACD/IUPAC Name]
1,2-O-Isopropylidène-D-mannitol [French] [ACD/IUPAC Name]
4306-35-8 [RN]
D-Mannitol, 1,2-O-(1-methylethylidene)- [ACD/Index Name]
(1S,2R,3R)-1-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)butane-1,2,3,4-tetraol
(1S,2R,3R)-1-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]butane-1,2,3,4-tetrol
1-(2,2-dimethyl-1,3-dioxolan-4-yl)butane-1,2,3,4-tetrol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 458.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±6.0 kJ/mol
Flash Point: 231.2±27.3 °C
Index of Refraction: 1.516
Molar Refractivity: 50.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.25
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.25
Polar Surface Area: 99 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 168.6±3.0 cm3

Click to predict properties on the Chemicalize site


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