ChemSpider 2D Image | Tiliacorine | C36H36N2O5

Tiliacorine

  • Molecular FormulaC36H36N2O5
  • Average mass576.681 Da
  • Monoisotopic mass576.262451 Da
  • ChemSpider ID390821

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8S,21S)-16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaen-13 ; -ol [German] [ACD/IUPAC Name]
(8S,21S)-16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaen-13 ; -ol [ACD/IUPAC Name]
(8S,21S)-16,27-Diméthoxy-7,22-diméthyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodécaén-13 ; -ol [French] [ACD/IUPAC Name]
(8S,21S)-16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaen-13-ol
Tiliacorine
27073-73-0 [RN]
2H,16H-22,26-EPOXY-1,24-ETHENO-6,10:11,15-DIMETHENOPYRIDO[2',3':17,18]OXACYCLOEICOSINO[2,3,4-IJ]ISOQUINOLIN-9-OL,3,4,4A,5,16A,17,18,19-OCTAHYDRO-12,21-DIMETHOXY-4,17-DIMETHYL-, (4AS,16AR)-
TILIACORININ
Tiliacorinine

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

AIDS010684 [DBID]
AIDS-010684 [DBID]
C09667 [DBID]
NSC379957 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 710.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.6±3.0 kJ/mol
    Flash Point: 383.4±32.9 °C
    Index of Refraction: 1.641
    Molar Refractivity: 165.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 6.04
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 44.96
    ACD/KOC (pH 5.5): 94.44
    ACD/LogD (pH 7.4): 5.74
    ACD/BCF (pH 7.4): 12118.13
    ACD/KOC (pH 7.4): 25453.86
    Polar Surface Area: 64 Å2
    Polarizability: 65.4±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 457.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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