Found 1 result

Search term: 78439476 (Found by CSID)
ChemSpider 2D Image | (3E,5R)-3-{[(1R,2R,4aS,8aR)-2,6-Dimethyl-1,2,4a,5,8,8a-hexahydro-1-naphthalenyl](hydroxy)methylene}-5-(4-hydroxybenzyl)-2,4-pyrrolidinedione | C24H27NO4

(3E,5R)-3-{[(1R,2R,4aS,8aR)-2,6-Dimethyl-1,2,4a,5,8,8a-hexahydro-1-naphthalenyl](hydroxy)methylene}-5-(4-hydroxybenzyl)-2,4-pyrrolidinedione

  • Molecular FormulaC24H27NO4
  • Average mass393.475 Da
  • Monoisotopic mass393.194000 Da
  • ChemSpider ID78439476

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3E,5R)-3-{[(1R,2R,4aS,8aR)-2,6-Diméthyl-1,2,4a,5,8,8a-hexahydro-1-naphtalényl](hydroxy)méthylène}-5-(4-hydroxybenzyl)-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
(3E,5R)-3-{[(1R,2R,4aS,8aR)-2,6-Dimethyl-1,2,4a,5,8,8a-hexahydro-1-naphthalenyl](hydroxy)methylene}-5-(4-hydroxybenzyl)-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3E,5R)-3-{[(1R,2R,4aS,8aR)-2,6-Dimethyl-1,2,4a,5,8,8a-hexahydro-1-naphthalinyl](hydroxy)methylen}-5-(4-hydroxybenzyl)-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
2,4-Pyrrolidinedione, 3-[[(1R,2R,4aS,8aR)-1,2,4a,5,8,8a-hexahydro-2,6-dimethyl-1-naphthalenyl]hydroxymethylene]-5-[(4-hydroxyphenyl)methyl]-, (3E,5R)- [ACD/Index Name]
(±)-conipyrrolidone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 341.5±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 108.71
ACD/KOC (pH 5.5): 778.86
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 2.40
ACD/KOC (pH 7.4): 17.21
Polar Surface Area: 87 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 316.4±3.0 cm3

Click to predict properties on the Chemicalize site


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