Found 1 result

Search term: VLJISOQUPIAQHH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,3E,5R)-5-(Hydroxymethyl)-2-isopropyl-1-methyl-7-octyl-2,5,6,8-tetrahydro-1H-[1,4]diazonino[7,6,5-cd]indol-3-ol | C25H39N3O2

(2R,3E,5R)-5-(Hydroxymethyl)-2-isopropyl-1-methyl-7-octyl-2,5,6,8-tetrahydro-1H-[1,4]diazonino[7,6,5-cd]indol-3-ol

  • Molecular FormulaC25H39N3O2
  • Average mass413.596 Da
  • Monoisotopic mass413.304230 Da
  • ChemSpider ID57263232

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3E,5R)-5-(Hydroxymethyl)-2-isopropyl-1-methyl-7-octyl-2,5,6,8-tetrahydro-1H-[1,4]diazonino[7,6,5-cd]indol-3-ol [German] [ACD/IUPAC Name]
(2R,3E,5R)-5-(Hydroxymethyl)-2-isopropyl-1-methyl-7-octyl-2,5,6,8-tetrahydro-1H-[1,4]diazonino[7,6,5-cd]indol-3-ol [ACD/IUPAC Name]
(2R,3E,5R)-5-(Hydroxyméthyl)-2-isopropyl-1-méthyl-7-octyl-2,5,6,8-tétrahydro-1H-[1,4]diazonino[7,6,5-cd]indol-3-ol [French] [ACD/IUPAC Name]
1H-1,4-Diazonino[7,6,5-cd]indole-5-methanol, 2,5,6,8-tetrahydro-3-hydroxy-1-methyl-2-(1-methylethyl)-7-octyl-, (2R,3E,5R)- [ACD/Index Name]
(+)-7-OCTYLINDOLACTAM V

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.8±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 1693.12
ACD/KOC (pH 5.5): 4582.15
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 1700.85
ACD/KOC (pH 7.4): 4603.08
Polar Surface Area: 72 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 360.5±7.0 cm3

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