ChemSpider 2D Image | obamegine | C36H38N2O6

obamegine

  • Molecular FormulaC36H38N2O6
  • Average mass594.697 Da
  • Monoisotopic mass594.273010 Da
  • ChemSpider ID389870
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

479-37-8 [RN]
6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol
6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol [ACD/IUPAC Name]
6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol [German] [ACD/IUPAC Name]
6,6'-Diméthoxy-2,2'-diméthylberbaman-7,12-diol [French] [ACD/IUPAC Name]
75K1EI2HDP
Berbaman-7,12-diol, 6,6'-dimethoxy-2,2'-dimethyl-
obamegine
(+)-obamegine
15,30-Diaza-20,25-dimethoxy-15,30-dimethyl-7,23-dioxaheptacyclo[22.6.2.2<3,6>.1<8,12>.1<14,18>.0<22,36>.0<27,31>]hexatriaconta-3(33),4,6(34),8,10,12(35),18(36),19,21,24,26,31-dodecaene-9,21-diol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS171573 [DBID]
AIDS-171573 [DBID]
C06513 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 381.1±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 179.46
ACD/KOC (pH 7.4): 878.25
Polar Surface Area: 84 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 480.0±3.0 cm3

Click to predict properties on the Chemicalize site






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