ChemSpider 2D Image | MICHELLAMINE | C46H48N2O8

MICHELLAMINE

  • Molecular FormulaC46H48N2O8
  • Average mass756.882 Da
  • Monoisotopic mass756.341064 Da
  • ChemSpider ID400564
  • 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-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]
(1R,3R,1'R,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]
(1R,3R,1'R,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-tetrahydroisoquinoline-6,8-diol)
(1R,3R,1'R,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-, (1R,3R,1'R,3'R)- [ACD/Index Name]
MICHELLAMINE
137793-81-8 [RN]
143168-23-4 [RN]
5-(3-{4-[6,8-dihydroxy-1,3-dimethyl-(1R)-1,2,3,4-tetrahydro-5-isoquinolinyl]-1-hydroxy-8-methoxy-6-methyl-2-naphthyl}-4-hydroxy-5-methoxy-7-methyl-1-naphthyl)-1,3-dimethyl-1,2,3,4-tetrahydro-6,8-isoquinolinediol(michellamine B)
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-6,8-isoquinolinediol), (1R,3R,5R,1'R,3'R,5'R)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS005324 [DBID]
AIDS-005324 [DBID]
NSC649324 [DBID]
NSC650898 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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