ChemSpider 2D Image | Sonolisib | C29H35NO8

Sonolisib

  • Molecular FormulaC29H35NO8
  • Average mass525.590 Da
  • Monoisotopic mass525.236267 Da
  • ChemSpider ID8025448
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1E,4S,4aR,5R,6aS,9aR)-1-[(Diallylamino)methylen]-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl-acetat [German] [ACD/IUPAC Name]
(1E,4S,4aR,5R,6aS,9aR)-1-[(Diallylamino)methylene]-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate [ACD/IUPAC Name]
(1E,4S,4aR,5R,6aS,9aR)-1-[(diprop-2-en-1-ylamino)methylidene]-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate
502632-66-8 [RN]
9630
Acétate de (1E,4S,4aR,5R,6aS,9aR)-1-[(diallylamino)méthylène]-11-hydroxy-4-(méthoxyméthyl)-4a,6a-diméthyl-2,7,10-trioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodécahydroindéno[4,5-h]isochromén-5-yle [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphtho[1,2-c]pyran-2,7,10(1H)-trione, 5-(acetyloxy)-1-[(di-2-propen-1-ylamino)methylene]-4,4a,5,6,6a,8,9,9a-octahydro-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-, (1E,4S,4aR,5R,6aS,9a R)- [ACD/Index Name]
cyclopenta[5,6]naphtho[1,2-c]pyran-2,7,10(1H)-trione, 5-(acetyloxy)-1-[(di-2-propen-1-ylamino)methylene]-4,4a,5,6,6a,8,9,9a-octahydro-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-, (1E,4S,4aR,5R,6aS,9aR)-
Sonolisib [INN]
Sonolisib [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

987796874T [DBID]
UNII:987796874T [DBID]
UNII-987796874T [DBID]
  • Miscellaneous
    • Chemical Class:

      An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine. ChEBI CHEBI:65345

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 347.7±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.57
ACD/KOC (pH 5.5): 534.86
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 35.46
ACD/KOC (pH 7.4): 416.22
Polar Surface Area: 119 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 409.2±5.0 cm3

Click to predict properties on the Chemicalize site






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