ChemSpider 2D Image | azachrysposorazine C2 | C28H27N3O5

azachrysposorazine C2

  • Molecular FormulaC28H27N3O5
  • Average mass485.531 Da
  • Monoisotopic mass485.195068 Da
  • ChemSpider ID114779798

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,11S,11aS)-2-Acetyl-3-benzyl-11-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,3,4,11,11a-hexahydro-6H-pyrazino[1,2-b][2,7]naphthyridin-6-on [German] [ACD/IUPAC Name]
(3S,11S,11aS)-2-Acetyl-3-benzyl-11-(7-methoxy-1,3-benzodioxol-5-yl)-1,2,3,4,11,11a-hexahydro-6H-pyrazino[1,2-b][2,7]naphthyridin-6-one [ACD/IUPAC Name]
(3S,11S,11aS)-2-Acétyl-3-benzyl-11-(7-méthoxy-1,3-benzodioxol-5-yl)-1,2,3,4,11,11a-hexahydro-6H-pyrazino[1,2-b][2,7]naphtyridin-6-one [French] [ACD/IUPAC Name]
6H-Pyrazino[1,2-b][2,7]naphthyridin-6-one, 2-acetyl-1,2,3,4,11,11a-hexahydro-11-(7-methoxy-1,3-benzodioxol-5-yl)-3-(phenylmethyl)-, (3S,11S,11aS)- [ACD/Index Name]
azachrysposorazine C2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 684.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 368.0±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.30
ACD/KOC (pH 5.5): 670.18
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.50
ACD/KOC (pH 7.4): 724.43
Polar Surface Area: 81 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 349.4±5.0 cm3

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