ChemSpider 2D Image | (3aR,8aR,9aR)-3-({2-[Hydroxy(diphenyl)methyl]-1-pyrrolidinyl}methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one | C32H39NO4

(3aR,8aR,9aR)-3-({2-[Hydroxy(diphenyl)methyl]-1-pyrrolidinyl}methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one

  • Molecular FormulaC32H39NO4
  • Average mass501.656 Da
  • Monoisotopic mass501.287903 Da
  • ChemSpider ID17469504

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(3aR,8aR,9aR)-3-({2-[Hydroxy(diphenyl)methyl]-1-pyrrolidinyl}methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one [ACD/IUPAC Name]
Spiro[naphtho[2,3-b]furan-5(2H),2'-oxiran]-2-one, decahydro-3-[[2-(hydroxydiphenylmethyl)-1-pyrrolidinyl]methyl]-8a-methyl-, (3aR,8aR,9aR)- [ACD/Index Name]
(3aR,8aR,9aR)-3-[[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one
1212447-99-8 [RN]
MolPort-002-531-373
STOCK1N-60669

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 363.3±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 6.76
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 25.44
ACD/KOC (pH 7.4): 108.74
Polar Surface Area: 62 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

Click to predict properties on the Chemicalize site


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