ChemSpider 2D Image | Methyl (16S,19E)-sarpagan-17-oate | C20H22N2O2

Methyl (16S,19E)-sarpagan-17-oate

  • Molecular FormulaC20H22N2O2
  • Average mass322.401 Da
  • Monoisotopic mass322.168121 Da
  • ChemSpider ID62887419

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(16S,19E)-Sarpagan-17-oate de méthyle [French] [ACD/IUPAC Name]
975-77-9 [RN]
Methyl (16S,19E)-sarpagan-17-oate [ACD/IUPAC Name]
Methyl-(16S,19E)-sarpagan-17-oat [German] [ACD/IUPAC Name]
Sarpagan-17-oic acid, methyl ester, (16S)- [ACD/Index Name]
methyl (1S,12S,13S,14R,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
pericyclivine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 489.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.7±28.7 °C
Index of Refraction: 1.673
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 2.65
ACD/KOC (pH 5.5): 20.24
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 101.63
ACD/KOC (pH 7.4): 777.41
Polar Surface Area: 45 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 248.2±5.0 cm3

Click to predict properties on the Chemicalize site


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