ChemSpider 2D Image | Dibutyl 1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-beta-D-erythro-pentofuranosyl]-1H-imidazole-4,5-dicarboxylate | C34H40N2O9

Dibutyl 1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-1H-imidazole-4,5-dicarboxylate

  • Molecular FormulaC34H40N2O9
  • Average mass620.689 Da
  • Monoisotopic mass620.273376 Da
  • ChemSpider ID9181834

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[2-Désoxy-3,5-bis-O-(4-méthylbenzoyl)-β-D-érythro-pentofuranosyl]-1H-imidazole-4,5-dicarboxylate de dibutyle [French] [ACD/IUPAC Name]
1H-Imidazole-4,5-dicarboxylic acid, 1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-, dibutyl ester [ACD/Index Name]
Dibutyl 1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-1H-imidazole-4,5-dicarboxylate [ACD/IUPAC Name]
Dibutyl-1-[2-desoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl]-1H-imidazol-4,5-dicarboxylat [German] [ACD/IUPAC 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: 734.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.0±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 165.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 9.53
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 241865.02
ACD/KOC (pH 5.5): 248391.56
ACD/LogD (pH 7.4): 7.39
ACD/BCF (pH 7.4): 241865.02
ACD/KOC (pH 7.4): 248391.56
Polar Surface Area: 132 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 498.3±7.0 cm3

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