ChemSpider 2D Image | ISOTETRANDRINE | C38H42N2O6

ISOTETRANDRINE

  • Molecular FormulaC38H42N2O6
  • Average mass622.750 Da
  • Monoisotopic mass622.304260 Da
  • ChemSpider ID402922

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Isotetrandrine
477-57-6 [RN]
6,6',7,12-tetramethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman
6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman [ACD/IUPAC Name]
6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman [German] [ACD/IUPAC Name]
6,6',7,12-Tétraméthoxy-2,2'-diméthylberbaman [French] [ACD/IUPAC Name]
ISOTETRANDRINE
(+)-isotetrandrine
(R,S)-Tetrandrine
23495-90-1 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

84T861CP2N [DBID]
AIDS012144 [DBID]
AIDS-012144 [DBID]
NCGC00013832 [DBID]
NCGC00013832-02 [DBID]
NCGC00017376-01 [DBID]
NCIMech_000062 [DBID]
NCIStruc1_000265 [DBID]
NCIStruc2_000039 [DBID]
NSC77037 [DBID]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 710.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.9±3.0 kJ/mol
    Flash Point: 175.8±30.1 °C
    Index of Refraction: 1.586
    Molar Refractivity: 178.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 3.55
    ACD/LogD (pH 5.5): 1.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.35
    ACD/LogD (pH 7.4): 4.13
    ACD/BCF (pH 7.4): 563.07
    ACD/KOC (pH 7.4): 2095.63
    Polar Surface Area: 62 Å2
    Polarizability: 70.6±0.5 10-24cm3
    Surface Tension: 41.8±3.0 dyne/cm
    Molar Volume: 531.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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