ChemSpider 2D Image | O-2694 | C38H60N2O5

O-2694

  • Molecular FormulaC38H60N2O5
  • Average mass624.893 Da
  • Monoisotopic mass624.450195 Da
  • ChemSpider ID9889001

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-6,6,9-Trimethyl-3-[2-methyl-7-(4-morpholinyl)-7-oxo-2-heptanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl 4-(diisopropylamino)butanoate [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-[2-methyl-7-(4-morpholinyl)-7-oxo-2-heptanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl-4-(diisopropylamino)butanoat [German] [ACD/IUPAC Name]
4-(Diisopropylamino)butanoate de (6aR,10aR)-6,6,9-triméthyl-3-[2-méthyl-7-(4-morpholinyl)-7-oxo-2-heptanyl]-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[bis(1-methylethyl)amino]-, (6aR,10aR)-3-[1,1-dimethyl-6-(4-morpholinyl)-6-oxohexyl]-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-yl ester [ACD/Index Name]
O-2694 [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 180.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 418.00
ACD/KOC (pH 5.5): 345.48
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 848.14
ACD/KOC (pH 7.4): 700.99
Polar Surface Area: 68 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 597.6±3.0 cm3

Click to predict properties on the Chemicalize site


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