ChemSpider 2D Image | (12bS)-9-Methoxy-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione | C26H29N3O6

(12bS)-9-Methoxy-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

  • Molecular FormulaC26H29N3O6
  • Average mass479.525 Da
  • Monoisotopic mass479.205627 Da
  • ChemSpider ID22871830

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(12bS)-9-Methoxy-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indol-1,4-dion [German] [ACD/IUPAC Name]
(12bS)-9-Methoxy-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione [ACD/IUPAC Name]
(12bS)-9-Méthoxy-12b-méthyl-2-(3,4,5-triméthoxybenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione [French] [ACD/IUPAC Name]
Pyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione, 2,3,6,7,12,12b-hexahydro-9-methoxy-12b-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]-, (12bS)- [ACD/Index Name]
(S)-9-methoxy-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7-tetrahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4(12H,12bH)-dione
956187-30-7 [RN]
MCULE-2417000975
MolPort-002-523-582
STOCK1N-48889
ZINC12866052

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 727.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.2±3.0 kJ/mol
    Flash Point: 393.9±32.9 °C
    Index of Refraction: 1.662
    Molar Refractivity: 129.4±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.65
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 28.56
    ACD/KOC (pH 5.5): 383.40
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 28.56
    ACD/KOC (pH 7.4): 383.40
    Polar Surface Area: 93 Å2
    Polarizability: 51.3±0.5 10-24cm3
    Surface Tension: 66.1±5.0 dyne/cm
    Molar Volume: 349.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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