ChemSpider 2D Image | (5xi,8xi,9xi,10xi,13xi,22xi,25xi)-4,9-Epoxycevane-3,4,12,14,16,17,20-heptol | C27H43NO8

(5ξ,8ξ,9ξ,10ξ,13ξ,22ξ,25ξ)-4,9-Epoxycevane-3,4,12,14,16,17,20-heptol

  • Molecular FormulaC27H43NO8
  • Average mass509.632 Da
  • Monoisotopic mass509.298859 Da
  • ChemSpider ID23111082

  • defined stereocentres - 4 of 14 defined stereocentres

More details:

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

(5ξ,8ξ,9ξ,10ξ,13ξ,22ξ,25ξ)-4,9-Epoxycevan-3,4,12,14,16,17,20-heptol [German] [ACD/IUPAC Name]
(5ξ,8ξ,9ξ,10ξ,13ξ,22ξ,25ξ)-4,9-Epoxycevane-3,4,12,14,16,17,20-heptol [ACD/IUPAC Name]
(5ξ,8ξ,9ξ,10ξ,13ξ,22ξ,25ξ)-4,9-Époxycévane-3,4,12,14,16,17,20-heptol [French] [ACD/IUPAC Name]
Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, (5ξ,8ξ,9ξ,10ξ,13ξ,22ξ,25ξ)- [ACD/Index Name]
6,10,19-trimethyl-(1R,10R,11S,14R)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptaol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 693.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 373.2±31.5 °C
Index of Refraction: 1.684
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.63
Polar Surface Area: 154 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 339.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement