Found 29 results

Search term: MF = 'C_{34}H_{48}O_{12}'
ChemSpider 2D Image | 1,6-Di-O-acetyl-4-O-benzyl-2-C-{(2E)-1,4-bis[(2,2-dimethylpropanoyl)oxy]-2-buten-2-yl}-2,3-O-isopropylidene-alpha-D-talopyranose | C34H48O12

1,6-Di-O-acetyl-4-O-benzyl-2-C-{(2E)-1,4-bis[(2,2-dimethylpropanoyl)oxy]-2-buten-2-yl}-2,3-O-isopropylidene-α-D-talopyranose

  • Molecular FormulaC34H48O12
  • Average mass648.738 Da
  • Monoisotopic mass648.314575 Da
  • ChemSpider ID9192897

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,6-Di-O-acetyl-4-O-benzyl-2-C-{(2E)-1,4-bis[(2,2-dimethylpropanoyl)oxy]-2-buten-2-yl}-2,3-O-isopropylidene-α-D-talopyranose [ACD/IUPAC Name]
1,6-Di-O-acétyl-4-O-benzyl-2-C-{(2E)-1,4-bis[(2,2-diméthylpropanoyl)oxy]-2-butén-2-yl}-2,3-O-isopropylidène-α-D-talopyranose [French] [ACD/IUPAC Name]
1,6-Di-O-acetyl-4-O-benzyl-2-C-{(2E)-1,4-bis[(2,2-dimethylpropanoyl)oxy]-2-buten-2-yl}-2,3-O-isopropyliden-α-D-talopyranose [German] [ACD/IUPAC Name]
α-D-Talopyranose, 2-C-[(1E)-3-(2,2-dimethyl-1-oxopropoxy)-1-[(2,2-dimethyl-1-oxopropoxy)methyl]-1-propen-1-yl]-2,3-O-(1-methylethylidene)-4-O-(phenylmethyl)-, diacetate [ACD/Index 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: 674.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 274.6±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 166.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 9.55
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 391810.22
ACD/KOC (pH 5.5): 350829.75
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 391810.22
ACD/KOC (pH 7.4): 350829.75
Polar Surface Area: 142 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 539.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement