ChemSpider 2D Image | (13S,15Z)-12-Hydroxysenecionan-11,16-dione | C18H25NO5

(13S,15Z)-12-Hydroxysenecionan-11,16-dione

  • Molecular FormulaC18H25NO5
  • Average mass335.395 Da
  • Monoisotopic mass335.173279 Da
  • ChemSpider ID24534230
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(13S,15Z)-12-Hydroxysenecionan-11,16-dion [German] [ACD/IUPAC Name]
(13S,15Z)-12-Hydroxysenecionan-11,16-dione [ACD/IUPAC Name]
(13S,15Z)-12-Hydroxysénécionan-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-5,6-dimethyl-, (3Z,5S,6R,14aR,14bR)- [ACD/Index Name]
480-79-5 [RN]
aurein
Integerrimine
Senecionine [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 563.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 62.05
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.73
ACD/KOC (pH 7.4): 213.10
Polar Surface Area: 76 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 267.2±5.0 cm3

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