ChemSpider 2D Image | Spartioidine | C18H23NO5

Spartioidine

  • Molecular FormulaC18H23NO5
  • Average mass333.379 Da
  • Monoisotopic mass333.157623 Da
  • ChemSpider ID21269936

  • 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

(12S)-12-Hydroxy-13,19-didehydrosenecionan-11,16-dion [German] [ACD/IUPAC Name]
(12S)-12-Hydroxy-13,19-didehydrosenecionan-11,16-dione [ACD/IUPAC Name]
(12S)-12-Hydroxy-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-methyl-5-methylene-, (6S,14aR,14bR)- [ACD/Index Name]
520-59-2 [RN]
Spartioidine
(1R,4E,7S,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
CAS-480-81-9
Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy-, (12-β,15E)-
Spartioidin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.2±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 3.00
ACD/KOC (pH 5.5): 53.18
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.42
ACD/KOC (pH 7.4): 184.57
Polar Surface Area: 76 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 261.7±5.0 cm3

Click to predict properties on the Chemicalize site


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