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Search term: 28533823 (Found by CSID)
ChemSpider 2D Image | (8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C | C23H27N3O5

(8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C

  • Molecular FormulaC23H27N3O5
  • Average mass425.478 Da
  • Monoisotopic mass425.195068 Da
  • ChemSpider ID28533823

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(5aR,6R,12R,14aS)-5a-Hydroxy-6,9-dimethoxy-12-(2-methyl-1-propen-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indol-5,14-dion [German] [ACD/IUPAC Name]
(5aR,6R,12R,14aS)-5a-Hydroxy-6,9-dimethoxy-12-(2-methyl-1-propen-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione [ACD/IUPAC Name]
(5aR,6R,12R,14aS)-5a-Hydroxy-6,9-diméthoxy-12-(2-méthyl-1-propén-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione [French] [ACD/IUPAC Name]
(8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C
5H,14H-Pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a-hydroxy-6,9-dimethoxy-12-(2-methyl-1-propen-1-yl)-, (5aR,6R,12R,14aS)- [ACD/Index Name]
rel-(8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 703.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 114.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.75
ACD/KOC (pH 5.5): 404.19
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.73
ACD/KOC (pH 7.4): 403.97
Polar Surface Area: 95 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 302.5±5.0 cm3

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