ChemSpider 2D Image | (12S,15R)-20-Chloro-12,15-dihydroxy-15,20-dihydrosenecionan-11,16-dione | C18H26ClNO6

(12S,15R)-20-Chloro-12,15-dihydroxy-15,20-dihydrosenecionan-11,16-dione

  • Molecular FormulaC18H26ClNO6
  • Average mass387.855 Da
  • Monoisotopic mass387.144867 Da
  • ChemSpider ID114544987

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(12S,15R)-20-Chlor-12,15-dihydroxy-15,20-dihydrosenecionan-11,16-dion [German] [ACD/IUPAC Name]
(12S,15R)-20-Chloro-12,15-dihydroxy-15,20-dihydrosenecionan-11,16-dione [ACD/IUPAC Name]
(12S,15R)-20-Chloro-12,15-dihydroxy-15,20-dihydrosénécionan-11,16-dione [French] [ACD/IUPAC Name]
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-(1-chloroethyl)-3,4,5,6,9,11,13,14,14a,14b-decahydro-3,6-dihydroxy-5,6-dimethyl-, (3R,5R,6S,14aR,14bR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 311.4±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 30.11
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 74.16
Polar Surface Area: 96 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 283.7±5.0 cm3

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