ChemSpider 2D Image | (7beta,8beta,12R,15Z)-12,18-Dihydroxy-13,19-didehydrosenecionan-11,16-dione | C18H23NO6

(7β,8β,12R,15Z)-12,18-Dihydroxy-13,19-didehydrosenecionan-11,16-dione

  • Molecular FormulaC18H23NO6
  • Average mass349.378 Da
  • Monoisotopic mass349.152527 Da
  • ChemSpider ID113590156

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(7β,8β,12R,15Z)-12,18-Dihydroxy-13,19-didehydrosenecionan-11,16-dion [German] [ACD/IUPAC Name]
(7β,8β,12R,15Z)-12,18-Dihydroxy-13,19-didehydrosenecionan-11,16-dione [ACD/IUPAC Name]
(7β,8β,12R,15Z)-12,18-Dihydroxy-13,19-didéhydrosénécionan-11,16-dione [French] [ACD/IUPAC Name]
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-(hydroxymethyl)-5-methylene-, (3Z,6R,14aS,14bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 312.5±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.02
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 41.86
Polar Surface Area: 96 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 259.0±5.0 cm3

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