ChemSpider 2D Image | (1R,3R,1'R,3'R)-5,5'-(1,1'-Dihydroxy-2,2'-binaphthalene-4,4'-diyl)bis(1,3-dimethyl-1,2,3,4-tetrahydro-6,8-isoquinolinediol) | C42H40N2O6

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

  • Molecular FormulaC42H40N2O6
  • Average mass668.777 Da
  • Monoisotopic mass668.288635 Da
  • ChemSpider ID408418

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3R,1'R,3'R)-5,5'-(1,1'-Dihydroxy-2,2'-binaphtalène-4,4'-diyl)bis(1,3-diméthyl-1,2,3,4-tétrahydro-6,8-isoquinoléinediol) [French] [ACD/IUPAC Name]
(1R,3R,1'R,3'R)-5,5'-(1,1'-Dihydroxy-2,2'-binaphthalene-4,4'-diyl)bis(1,3-dimethyl-1,2,3,4-tetrahydro-6,8-isoquinolinediol) [ACD/IUPAC Name]
(1R,3R,1'R,3'R)-5,5'-(1,1'-Dihydroxy-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[2,2'-binaphthalene]-4,4'-diyl)bis[1,2,3,4-tetrahydro-1,3-dimethyl-, (1R,3R,1'R,3'R)- [ACD/Index Name]
4',4"",Didesmethoxy-2',2""-didesmethylmichellamine B
Michellamine B analog

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

AIDS043128 [DBID]
AIDS-043128 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 849.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 73.1±24.9 °C
Index of Refraction: 1.699
Molar Refractivity: 196.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.81
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 7.25
ACD/KOC (pH 7.4): 19.96
Polar Surface Area: 145 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 509.8±3.0 cm3

Click to predict properties on the Chemicalize site


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