ChemSpider 2D Image | bengazole 3 | C29H48N2O7

bengazole 3

  • Molecular FormulaC29H48N2O7
  • Average mass536.701 Da
  • Monoisotopic mass536.346130 Da
  • ChemSpider ID4587949

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6R)-1,5-Dideoxy-2-O-(14-methylpentadecanoyl)-6-C-[2-(1,3-oxazol-5-ylmethyl)-1,3-oxazol-4-yl]-L-arabino-hexitol [ACD/IUPAC Name]
(6R)-1,5-Didesoxy-2-O-(14-methylpentadecanoyl)-6-C-[2-(1,3-oxazol-5-ylmethyl)-1,3-oxazol-4-yl]-L-arabino-hexitol [German] [ACD/IUPAC Name]
(6R)-1,5-Didésoxy-2-O-(14-méthylpentadecanoyl)-6-C-[2-(1,3-oxazol-5-ylméthyl)-1,3-oxazol-4-yl]-L-arabino-hexitol [French] [ACD/IUPAC Name]
bengazole 3
L-arabino-Hexitol, 1,5-dideoxy-2-O-(14-methyl-1-oxopentadecyl)-6-C-[2-(5-oxazolylmethyl)-4-oxazolyl]-, (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 14-methylpentadecanoate
(2S,3S,4S,6R)-3,4,6-trihydroxy-6-(2-(oxazol-5-ylmethyl)oxazol-4-yl)hexan-2-yl 14-methylpentadecanoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL490699/

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

AIDS109662 [DBID]
AIDS-109662 [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: 675.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 144.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1036.04
ACD/KOC (pH 5.5): 5011.87
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1036.07
ACD/KOC (pH 7.4): 5012.06
Polar Surface Area: 139 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 482.1±3.0 cm3

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