ChemSpider 2D Image | altercrasin A | C24H33NO5

altercrasin A

  • Molecular FormulaC24H33NO5
  • Average mass415.522 Da
  • Monoisotopic mass415.235870 Da
  • ChemSpider ID34452007

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3S,3aS,5'S,5aS,7R,9aR,9bS)-3-[(1E,3R)-3-Hydroxy-1-buten-1-yl]-5'-[(1R)-1-hydroxyethyl]-7,9b-dimethyl-3a,5a,6,7,8,9,9a,9b-octahydro-2'H,4'H-spiro[cyclopenta[a]naphthalene-2,3'-pyrrolidine]-1,2',4'( 3H)-trione [ACD/IUPAC Name]
altercrasin A
Spiro[2H-benz[e]indene-2,3'-pyrrolidine]-1,2',4'(3H)-trione, 3a,5a,6,7,8,9,9a,9b-octahydro-3-[(1E,3R)-3-hydroxy-1-buten-1-yl]-5'-[(1R)-1-hydroxyethyl]-7,9b-dimethyl-, (2R,3S,3aS,5'S,5aS,7R,9aR,9bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 354.9±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.15
ACD/KOC (pH 5.5): 195.58
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.03
ACD/KOC (pH 7.4): 193.42
Polar Surface Area: 104 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 332.4±5.0 cm3

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