ChemSpider 2D Image | ajudazol A | C34H42N2O7

ajudazol A

  • Molecular FormulaC34H42N2O7
  • Average mass590.706 Da
  • Monoisotopic mass590.299194 Da
  • ChemSpider ID8591438

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-N-[(2E,6Z,8Z)-11-(4-{(2S)-2-[(3S,4R)-4,8-Dihydroxy-7-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl]propyl}-1,3-oxazol-2-yl)-2,6,8,11-dodecatetraen-1-yl]-3-methoxy-N-methyl-2-butenamid [German] [ACD/IUPAC Name]
(2E)-N-[(2E,6Z,8Z)-11-(4-{(2S)-2-[(3S,4R)-4,8-Dihydroxy-7-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl]propyl}-1,3-oxazol-2-yl)-2,6,8,11-dodecatetraen-1-yl]-3-methoxy-N-methyl-2-butenamide [ACD/IUPAC Name]
(2E)-N-[(2E,6Z,8Z)-11-(4-{(2S)-2-[(3S,4R)-4,8-Dihydroxy-7-méthyl-1-oxo-3,4-dihydro-1H-isochromén-3-yl]propyl}-1,3-oxazol-2-yl)-2,6,8,11-dodécatétraén-1-yl]-3-méthoxy-N-méthyl-2-buténamide [French] [ACD/IUPAC Name]
2-Butenamide, N-[(2E,6Z,8Z)-11-[4-[(2S)-2-[(3S,4R)-3,4-dihydro-4,8-dihydroxy-7-methyl-1-oxo-1H-2-benzopyran-3-yl]propyl]-2-oxazolyl]-2,6,8,11-dodecatetraen-1-yl]-3-methoxy-N-methyl-, (2E)- [ACD/Index Name]
ajudazol A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 822.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.4±37.1 °C
Index of Refraction: 1.576
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2318.47
ACD/KOC (pH 5.5): 8920.75
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2312.59
ACD/KOC (pH 7.4): 8898.13
Polar Surface Area: 122 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 502.7±3.0 cm3

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