ChemSpider 2D Image | Epicriptine | C32H43N5O5

Epicriptine

  • Molecular FormulaC32H43N5O5
  • Average mass577.714 Da
  • Monoisotopic mass577.326416 Da
  • ChemSpider ID59102

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5'α,10α)-5'-[(2R)-2-Butanyl]-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman [ACD/IUPAC Name]
(5'α,10α)-5'-[(2R)-2-Butanyl]-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman [German] [ACD/IUPAC Name]
(5'α,10α)-5'-[(2R)-2-Butanyl]-12'-hydroxy-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman [French] [ACD/IUPAC Name]
5M64643B5U
Epicriptine [INN]
Ergotaman, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-[(1R)-1-methylpropyl]-3',6',18-trioxo-, (5'α,10α)- [ACD/Index Name]
(r)-9,10-dihydro-β-ergocryptine
11032-41-0 [RN]
9,10α-Dihydro-13'-epi-β-ergocryptine
DCN 203-922
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6220 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 848.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 129.2±3.0 kJ/mol
    Flash Point: 466.9±34.3 °C
    Index of Refraction: 1.667
    Molar Refractivity: 157.9±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 4.03
    ACD/LogD (pH 5.5): 1.19
    ACD/BCF (pH 5.5): 1.75
    ACD/KOC (pH 5.5): 15.86
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 60.81
    ACD/KOC (pH 7.4): 551.69
    Polar Surface Area: 118 Å2
    Polarizability: 62.6±0.5 10-24cm3
    Surface Tension: 68.6±5.0 dyne/cm
    Molar Volume: 424.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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