ChemSpider 2D Image | Denudatine | C22H33NO2

Denudatine

  • Molecular FormulaC22H33NO2
  • Average mass343.503 Da
  • Monoisotopic mass343.251129 Da
  • ChemSpider ID30783487

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(7α,11β,15β,20R)-21-Ethyl-4-methyl-7,20-cycloatid-16-en-11,15-diol [German] [ACD/IUPAC Name]
(7α,11β,15β,20R)-21-Ethyl-4-methyl-7,20-cycloatid-16-ene-11,15-diol [ACD/IUPAC Name]
(7α,11β,15β,20R)-21-Éthyl-4-méthyl-7,20-cycloatid-16-ène-11,15-diol [French] [ACD/IUPAC Name]
26166-37-0 [RN]
Denudatine
(1S,5R,9R,10S,11R,13R,14S,15S,16R)-7-Ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diol
[26166-37-0] [RN]
CID 24721564
MFCD00221741

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

Density: 1.2±0.1 g/cm3
Boiling Point: 488.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 242.3±27.4 °C
Index of Refraction: 1.620
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 8.41
Polar Surface Area: 44 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 279.0±5.0 cm3

Click to predict properties on the Chemicalize site


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