ChemSpider 2D Image | 12,18-Dihydroxy(3,3,9,9-~2~H_4_)senecionan-11,16-dione | C18H21D4NO6

12,18-Dihydroxy(3,3,9,9-2H4)senecionan-11,16-dione

  • Molecular FormulaC18H21D4NO6
  • Average mass355.419 Da
  • Monoisotopic mass355.193298 Da
  • ChemSpider ID58785003

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione-9,11-d2, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-9,11-d2-6-hydroxy-6-(hydroxymethyl)-5-methyl-, (5R,6S,14aR,14bR)- [ACD/Index Name]
12,18-Dihydroxy(3,3,9,9-2H4)senecionan-11,16-dion [German] [ACD/IUPAC Name]
12,18-Dihydroxy(3,3,9,9-2H4)senecionan-11,16-dione [ACD/IUPAC Name]
12,18-Dihydroxy(3,3,9,9-2H4)sénécionan-11,16-dione [French] [ACD/IUPAC 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: 583.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 306.5±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.63
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 46.60
Polar Surface Area: 96 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 264.5±5.0 cm3

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