ChemSpider 2D Image | bengazole A | C27H44N2O8

bengazole A

  • Molecular FormulaC27H44N2O8
  • Average mass524.647 Da
  • Monoisotopic mass524.309753 Da
  • ChemSpider ID8777521
  • defined stereocentres - 5 of 5 defined stereocentres


More details:



Featured data source



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

(6S)-1,5-Dideoxy-6-C-{2-[(S)-1,3-oxazol-5-yl(tetradecanoyloxy)methyl]-1,3-oxazol-4-yl}-D-arabino-hexitol [ACD/IUPAC Name]
(6S)-1,5-Didesoxy-6-C-{2-[(S)-1,3-oxazol-5-yl(tetradecanoyloxy)methyl]-1,3-oxazol-4-yl}-D-arabino-hexitol [German] [ACD/IUPAC Name]
(6S)-1,5-Didésoxy-6-C-{2-[(S)-1,3-oxazol-5-yl(tetradecanoyloxy)méthyl]-1,3-oxazol-4-yl}-D-arabino-hexitol [French] [ACD/IUPAC Name]
bengazole A
D-arabino-Hexitol, 1,5-dideoxy-6-C-[2-[(S)-5-oxazolyl[(1-oxotetradecyl)oxy]methyl]-4-oxazolyl]-, (6S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 694.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.7±31.5 °C
Index of Refraction: 1.526
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 719.73
ACD/KOC (pH 5.5): 3861.57
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 719.73
ACD/KOC (pH 7.4): 3861.55
Polar Surface Area: 159 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 446.9±3.0 cm3

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