ChemSpider 2D Image | (2E,9bR)-6-Acetyl-7,9-dihydroxy-2-{1-[(2-hydroxy-3-isopropoxypropyl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione | C24H29NO8

(2E,9bR)-6-Acetyl-7,9-dihydroxy-2-{1-[(2-hydroxy-3-isopropoxypropyl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

  • Molecular FormulaC24H29NO8
  • Average mass459.489 Da
  • Monoisotopic mass459.189331 Da
  • ChemSpider ID35145650

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2E,9bR)-6-Acetyl-7,9-dihydroxy-2-{1-[(2-hydroxy-3-isopropoxypropyl)amino]ethyliden}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dion [German] [ACD/IUPAC Name]
(2E,9bR)-6-Acetyl-7,9-dihydroxy-2-{1-[(2-hydroxy-3-isopropoxypropyl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione [ACD/IUPAC Name]
(2E,9bR)-6-Acétyl-7,9-dihydroxy-2-{1-[(2-hydroxy-3-isopropoxypropyl)amino]éthylidène}-8,9b-diméthyldibenzo[b,d]furane-1,3(2H,9bH)-dione [French] [ACD/IUPAC Name]
1,3(2H,9bH)-Dibenzofurandione, 6-acetyl-7,9-dihydroxy-2-[1-[[2-hydroxy-3-(1-methylethoxy)propyl]amino]ethylidene]-8,9b-dimethyl-, (2E,9bR)- [ACD/Index Name]
(9bR,E)-6-acetyl-7,9-dihydroxy-2-(1-((2-hydroxy-3-isopropoxypropyl)amino)ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 715.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.8±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.03
ACD/KOC (pH 5.5): 1050.75
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 39.02
ACD/KOC (pH 7.4): 347.37
Polar Surface Area: 142 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 334.2±5.0 cm3

Click to predict properties on the Chemicalize site


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