ChemSpider 2D Image | (3beta,16xi,19E)-1-Methylsarpagan-17-ol | C20H24N2O

(3β,16ξ,19E)-1-Methylsarpagan-17-ol

  • Molecular FormulaC20H24N2O
  • Average mass308.417 Da
  • Monoisotopic mass308.188873 Da
  • ChemSpider ID127384468

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3β,16ξ,19E)-1-Methylsarpagan-17-ol [German] [ACD/IUPAC Name]
(3β,16ξ,19E)-1-Methylsarpagan-17-ol [ACD/IUPAC Name]
(3β,16ξ,19E)-1-Méthylsarpagan-17-ol [French] [ACD/IUPAC Name]
Sarpagan-17-ol, 1-methyl-, (3β,16ξ)- [ACD/Index Name]
(+)-Affinisine
[(1S,12S,14S,15E)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 475.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 241.3±28.7 °C
Index of Refraction: 1.719
Molar Refractivity: 90.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.04
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 17.35
ACD/KOC (pH 7.4): 136.85
Polar Surface Area: 28 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 229.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement