ChemSpider 2D Image | (1S,3R,1'S,3'R)-5,5'-(1,1'-Dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-2,2'-binaphthalene-4,4'-diyl)bis(1,3-dimethyl-1,2,3,4-tetrahydro-6,8-isoquinolinediol) | C46H48N2O8

(1S,3R,1'S,3'R)-5,5'-(1,1'-Dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-2,2'-binaphthalene-4,4'-diyl)bis(1,3-dimethyl-1,2,3,4-tetrahydro-6,8-isoquinolinediol)

  • Molecular FormulaC46H48N2O8
  • Average mass756.882 Da
  • Monoisotopic mass756.341064 Da
  • ChemSpider ID32778506

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1S,3R,1'S,3'R)-5,5'-(1,1'-Dihydroxy-8,8'-diméthoxy-6,6'-diméthyl-2,2'-binaphtalène-4,4'-diyl)bis(1,3-diméthyl-1,2,3,4-tétrahydro-6,8-isoquinoléinediol) [French] [ACD/IUPAC Name]
(1S,3R,1'S,3'R)-5,5'-(1,1'-Dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-2,2'-binaphthalene-4,4'-diyl)bis(1,3-dimethyl-1,2,3,4-tetrahydro-6,8-isoquinolinediol) [ACD/IUPAC Name]
(1S,3R,1'S,3'R)-5,5'-(1,1'-Dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-2,2'-binaphthalin-4,4'-diyl)bis(1,3-dimethyl-1,2,3,4-tetrahydro-6,8-isochinolindiol) [German] [ACD/IUPAC Name]
6,8-Isoquinolinediol, 5,5'-(1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)bis[1,2,3,4-tetrahydro-1,3-dimethyl-, (1S,3R,1'S,3'R)- [ACD/Index Name]
michellamine A
Michellamine B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 909.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 503.8±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 219.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 4.68
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 30.34
ACD/KOC (pH 7.4): 59.08
Polar Surface Area: 164 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 590.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement