ChemSpider 2D Image | 3-O-Benzyl-5-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]-1,2-O-isopropylidene-3-C-(2-methyl-2-propen-1-yl)-alpha-D-ribo-pentodialdo-1,4-furanose | C26H32O5

3-O-Benzyl-5-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]-1,2-O-isopropylidene-3-C-(2-methyl-2-propen-1-yl)-α-D-ribo-pentodialdo-1,4-furanose

  • Molecular FormulaC26H32O5
  • Average mass424.529 Da
  • Monoisotopic mass424.224976 Da
  • ChemSpider ID30658903

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

3-O-Benzyl-5-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]-1,2-O-isopropylidene-3-C-(2-methyl-2-propen-1-yl)-α-D-ribo-pentodialdo-1,4-furanose [ACD/IUPAC Name]
3-O-Benzyl-5-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-én-2-yl]-1,2-O-isopropylidène-3-C-(2-méthyl-2-propén-1-yl)-α-D-ribo-pentodialdo-1,4-furanose [French] [ACD/IUPAC Name]
α-D-ribo-Pentodialdo-1,4-furanose, 5-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]-1,2-O-(1-methylethylidene)-3-C-(2-methyl-2-propen-1-yl)-3-O-(phenylmethyl)- [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: 518.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 222.0±30.2 °C
Index of Refraction: 1.576
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12286.66
ACD/KOC (pH 5.5): 29431.02
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12286.66
ACD/KOC (pH 7.4): 29431.02
Polar Surface Area: 54 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 355.4±5.0 cm3

Click to predict properties on the Chemicalize site


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