ChemSpider 2D Image | Methyl (7beta,16Z,20alpha,21beta)-16-(methoxymethylene)-2-oxo-21-(2-oxopropyl)corynoxan-17-oate | C25H32N2O5

Methyl (7β,16Z,20α,21β)-16-(methoxymethylene)-2-oxo-21-(2-oxopropyl)corynoxan-17-oate

  • Molecular FormulaC25H32N2O5
  • Average mass440.532 Da
  • Monoisotopic mass440.231110 Da
  • ChemSpider ID26388820

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7β,16Z,20α,21β)-16-(Méthoxyméthylène)-2-oxo-21-(2-oxopropyl)corynoxan-17-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (7β,16Z,20α,21β)-16-(methoxymethylene)-2-oxo-21-(2-oxopropyl)corynoxan-17-oate [ACD/IUPAC Name]
Methyl-(7β,16Z,20α,21β)-16-(methoxymethylen)-2-oxo-21-(2-oxopropyl)corynoxan-17-oat [German] [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(5'H)-indolizine]-7'-acetic acid, 6'-ethyl-1,2,2',3',6',7',8',8'a-octahydro-α-(methoxymethylene)-2-oxo-5'-(2-oxopropyl)-, methyl ester, (αZ,3R,5'S,6'R,7'S,8'aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.2±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.29
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 14.31
ACD/KOC (pH 7.4): 163.08
Polar Surface Area: 85 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 356.1±5.0 cm3

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