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ChemSpider 2D Image | O-1057 | C32H46N2O4

O-1057

  • Molecular FormulaC32H46N2O4
  • Average mass522.719 Da
  • Monoisotopic mass522.345764 Da
  • ChemSpider ID8004975
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6aR,10aR)-3-(6-Cyan-2-methyl-2-hexanyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl-4-(4-morpholinyl)butanoat [German] [ACD/IUPAC Name]
(6aR,10aR)-3-(6-Cyano-2-methyl-2-hexanyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl 4-(4-morpholinyl)butanoate [ACD/IUPAC Name]
4-(4-Morpholinyl)butanoate de (6aR,10aR)-3-(6-cyano-2-méthyl-2-hexanyl)-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC Name]
4-Morpholinebutanoic acid, (6aR,10aR)-3-(5-cyano-1,1-dimethylpentyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-yl ester [ACD/Index Name]
O-1057 [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 639.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 149.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 1180.55
ACD/KOC (pH 5.5): 1899.54
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 32436.79
ACD/KOC (pH 7.4): 52191.91
Polar Surface Area: 72 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 490.3±3.0 cm3

Click to predict properties on the Chemicalize site






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