ChemSpider 2D Image | 6',7'-Dihydroxy-10,11-dimethoxyemetan-2',5-diium | C27H38N2O4

6',7'-Dihydroxy-10,11-dimethoxyemetan-2',5-diium

  • Molecular FormulaC27H38N2O4
  • Average mass454.600 Da
  • Monoisotopic mass454.282074 Da
  • ChemSpider ID128920851

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6',7'-Dihydroxy-10,11-dimethoxyemetan-2',5-diium [German] [ACD/IUPAC Name]
6',7'-Dihydroxy-10,11-dimethoxyemetan-2',5-diium [ACD/IUPAC Name]
6',7'-Dihydroxy-10,11-diméthoxyémétan-2',5-diium [French] [ACD/IUPAC Name]
6,7-Isoquinolinediol, 1-[[(2S,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-1,2,3,4-tetrahydro-, conjugate diacid, (1R)- [ACD/Index Name]
7'-O-demethylcephaeline

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

Density:
Boiling Point: 625.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 332.3±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 8.62
Polar Surface Area: 80 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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