ChemSpider 2D Image | AMAROLIDE 2-ACETATE | C22H30O7

AMAROLIDE 2-ACETATE

  • Molecular FormulaC22H30O7
  • Average mass406.469 Da
  • Monoisotopic mass406.199158 Da
  • ChemSpider ID32702065

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,11α)-11-Hydroxy-1,12,16-trioxopicrasan-2-yl acetate [ACD/IUPAC Name]
(2α,11α)-11-Hydroxy-1,12,16-trioxopicrasan-2-yl-acetat [German] [ACD/IUPAC Name]
29913-89-1 [RN]
Acétate de (2α,11α)-11-hydroxy-1,12,16-trioxopicrasan-2-yle [French] [ACD/IUPAC Name]
AMAROLIDE 2-ACETATE
Picrasane-1,12,16-trione, 2-(acetyloxy)-11-hydroxy-, (2α,11α)- [ACD/Index Name]

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

38637N559X [DBID]
UNII:38637N559X [DBID]
UNII-38637N559X [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 198.0±23.6 °C
Index of Refraction: 1.549
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.95
ACD/KOC (pH 5.5): 109.30
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.95
ACD/KOC (pH 7.4): 109.30
Polar Surface Area: 107 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

Click to predict properties on the Chemicalize site


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