ChemSpider 2D Image | 5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman | C39H44N2O7

5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman

  • Molecular FormulaC39H44N2O7
  • Average mass652.776 Da
  • Monoisotopic mass652.314880 Da
  • ChemSpider ID272592

More details:

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

5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman [ACD/IUPAC Name]
5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman [German] [ACD/IUPAC Name]
5,6,6',7,12-Pentaméthoxy-2,2'-diméthylberbaman [French] [ACD/IUPAC Name]
6681-13-6 [RN]
681840-13-1 [RN]
9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[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(35),9,11,18(36),19,21,24,26,31-dodecaene
Berbaman, 5,6,6',7,12-pentamethoxy-2, 2'-dimethyl-, (1β)-
Hernandezine [Wiki]
Hernandezine (, )
Thalisamine

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

A2306/0097223 [DBID]
AIDS160376 [DBID]
AIDS-160376 [DBID]
C09461 [DBID]
ChemDiv1_028128 [DBID]
NSC209848 [DBID]
NSC626650 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 732.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.9±3.0 kJ/mol
    Flash Point: 178.9±30.1 °C
    Index of Refraction: 1.580
    Molar Refractivity: 184.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 2.75
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.60
    ACD/LogD (pH 7.4): 3.83
    ACD/BCF (pH 7.4): 352.37
    ACD/KOC (pH 7.4): 1603.21
    Polar Surface Area: 71 Å2
    Polarizability: 73.3±0.5 10-24cm3
    Surface Tension: 41.5±3.0 dyne/cm
    Molar Volume: 555.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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