ChemSpider 2D Image | (1'alpha)-7',12'-Dihydroxy-6,6'-dimethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium | C38H44N2O6

(1'α)-7',12'-Dihydroxy-6,6'-dimethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium

  • Molecular FormulaC38H44N2O6
  • Average mass624.765 Da
  • Monoisotopic mass624.318848 Da
  • ChemSpider ID171378
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(13aS,25aS)-2,3,13a,14,15,16,25,25a-Octahydro-9,19-dihydroxy-18,29-dimethoxy-1,1,14,14-tetramethyl-13H-4,6:21,24-dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium
(1'α)-7',12'-Dihydroxy-6,6'-dimethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium [ACD/IUPAC Name]
(1'α)-7',12'-Dihydroxy-6,6'-dimethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium [German] [ACD/IUPAC Name]
(1'α)-7',12'-Dihydroxy-6,6'-diméthoxy-2,2,2',2'-tétraméthyltubocuraran-2,2'-diium [French] [ACD/IUPAC Name]
22260-42-0 [RN]
(+)-2,2'-Dimethylbebeerine
(+)-Curarine
13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,19-dihydroxy-18,29-dimethoxy-1,1,14,14-tetramethyl-, (13aS-(13aR*,25aR*))-
13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,19-dihydroxy-18,29-dimethoxy-1,1,14,14-tetramethyl-, (13aS,25aS)-
1401-89-4 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.85
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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