ChemSpider 2D Image | digonazole | C34H58N2O7

digonazole

  • Molecular FormulaC34H58N2O7
  • Average mass606.833 Da
  • Monoisotopic mass606.424377 Da
  • ChemSpider ID10474539
  • 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-O-henicosanoyl-6-C-[2-(1,3-oxazol-5-ylmethyl)-1,3-oxazol-4-yl]-L-arabino-hexitol [ACD/IUPAC Name]
(6R)-1,5-Didesoxy-6-O-henicosanoyl-6-C-[2-(1,3-oxazol-5-ylmethyl)-1,3-oxazol-4-yl]-L-arabino-hexitol [German] [ACD/IUPAC Name]
(6R)-1,5-Didésoxy-6-O-henicosanoyl-6-C-[2-(1,3-oxazol-5-ylméthyl)-1,3-oxazol-4-yl]-L-arabino-hexitol [French] [ACD/IUPAC Name]
digonazole
L-arabino-Hexitol, 1,5-dideoxy-6-C-[2-(5-oxazolylmethyl)-4-oxazolyl]-6-O-(1-oxoheneicosyl)-, (6R)- [ACD/Index Name]
157536-06-6 [RN]
L-arabino-Hexitol, 1,5-dideoxy-6-C-[2-(5-oxazolylmethyl)-4-oxazolyl]-, 6-heneicosanoate, (6R)- (9CI)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 718.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.5±32.9 °C
Index of Refraction: 1.507
Molar Refractivity: 168.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 647366.25
ACD/KOC (pH 5.5): 502561.31
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 647380.50
ACD/KOC (pH 7.4): 502572.34
Polar Surface Area: 139 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 564.2±3.0 cm3

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