ChemSpider 2D Image | Methyl (3xi)-2-deoxy-3,5-bis-O-(4-methylbenzoyl)-beta-D-glycero-pentofuranoside | C22H24O6

Methyl (3ξ)-2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-glycero-pentofuranoside

  • Molecular FormulaC22H24O6
  • Average mass384.422 Da
  • Monoisotopic mass384.157288 Da
  • ChemSpider ID107444495

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3ξ)-2-Désoxy-3,5-bis-O-(4-méthylbenzoyl)-β-D-glycéro-pentofuranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (3ξ)-2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-glycero-pentofuranoside [ACD/IUPAC Name]
Methyl-(3ξ)-2-desoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-glycero-pentofuranosid [German] [ACD/IUPAC Name]
β-D-glycero-Pentofuranoside, methyl 2-deoxy-, bis(4-methylbenzoate), (3ξ)- [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: 509.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 221.3±30.2 °C
Index of Refraction: 1.569
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1205.34
ACD/KOC (pH 5.5): 5585.43
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1205.34
ACD/KOC (pH 7.4): 5585.43
Polar Surface Area: 71 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 313.8±5.0 cm3

Click to predict properties on the Chemicalize site


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