ChemSpider 2D Image | bengazole 1 | C29H48N2O7

bengazole 1

  • Molecular FormulaC29H48N2O7
  • Average mass536.701 Da
  • Monoisotopic mass536.346130 Da
  • ChemSpider ID4587948

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6R)-1,5-Dideoxy-6-C-[2-(1,3-oxazol-5-ylmethyl)-1,3-oxazol-4-yl]-2-O-palmitoyl-L-arabino-hexitol [ACD/IUPAC Name]
(6R)-1,5-Didesoxy-6-C-[2-(1,3-oxazol-5-ylmethyl)-1,3-oxazol-4-yl]-2-O-palmitoyl-L-arabino-hexitol [German] [ACD/IUPAC Name]
(6R)-1,5-Didésoxy-6-C-[2-(1,3-oxazol-5-ylméthyl)-1,3-oxazol-4-yl]-2-O-palmitoyl-L-arabino-hexitol [French] [ACD/IUPAC Name]
bengazole 1
L-arabino-Hexitol, 1,5-dideoxy-6-C-[2-(5-oxazolylmethyl)-4-oxazolyl]-2-O-(1-oxohexadecyl)-, (6R)- [ACD/Index Name]
(1S,2S,3S,5R)-2,3,5-Trihydroxy-1-methyl-5-[2-(1,3-oxazol-5-ylmethyl)(1,3-oxazol-4-yl)]pentyl hexadecanoate
(2S,3S,4S,6R)-3,4,6-trihydroxy-6-(2-(oxazol-5-ylmethyl)oxazol-4-yl)hexan-2-yl palmitate
(6R)-1,5-dideoxy-2-O-hexadecanoyl-6-C-[2-(1,3-oxazol-5-ylmethyl)-1,3-oxazol-4-yl]-L-arabino-hexitol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521974/

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

AIDS109660 [DBID]
AIDS-109660 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 679.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.513
Molar Refractivity: 144.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18489.26
ACD/KOC (pH 5.5): 39431.41
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18489.93
ACD/KOC (pH 7.4): 39432.84
Polar Surface Area: 139 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 481.7±3.0 cm3

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