ChemSpider 2D Image | 5-[(2-Acetamido-3,4,6-tri-O-benzoyl-2-deoxyhexopyranosyl)oxy]pentanoic acid | C34H35NO11

5-[(2-Acetamido-3,4,6-tri-O-benzoyl-2-deoxyhexopyranosyl)oxy]pentanoic acid

  • Molecular FormulaC34H35NO11
  • Average mass633.642 Da
  • Monoisotopic mass633.221008 Da
  • ChemSpider ID8659589

More details:

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

5-[(2-Acetamido-3,4,6-tri-O-benzoyl-2-deoxyhexopyranosyl)oxy]pentanoic acid [ACD/IUPAC Name]
5-[(2-Acetamido-3,4,6-tri-O-benzoyl-2-desoxyhexopyranosyl)oxy]pentansäure [German] [ACD/IUPAC Name]
Acide 5-[(2-acétamido-3,4,6-tri-O-benzoyl-2-désoxyhexopyranosyl)oxy]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[2-(acetylamino)-3,4,6-tri-O-benzoyl-2-deoxyhexopyranosyl]oxy]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 819.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 449.5±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 833.13
ACD/KOC (pH 5.5): 2408.09
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 13.16
ACD/KOC (pH 7.4): 38.04
Polar Surface Area: 164 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 471.6±5.0 cm3

Click to predict properties on the Chemicalize site


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