ChemSpider 2D Image | 3-{14-Ethyl-9-[1-(hexyloxy)ethyl]-4,8,13,18-tetramethyl-20-oxo-3-phorbinyl}propanoic acid | C39H48N4O4

3-{14-Ethyl-9-[1-(hexyloxy)ethyl]-4,8,13,18-tetramethyl-20-oxo-3-phorbinyl}propanoic acid

  • Molecular FormulaC39H48N4O4
  • Average mass636.823 Da
  • Monoisotopic mass636.367554 Da
  • ChemSpider ID24710790

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

149402-51-7 [RN]
3-{14-Ethyl-9-[1-(hexyloxy)ethyl]-4,8,13,18-tetramethyl-20-oxo-3-phorbinyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{(3S,4S)-14-éthyl-9-[1-(hexyloxy)éthyl]-4,8,13,18-tétraméthyl-20-oxo-3-phorbinyl}propanoïque [French] [ACD/IUPAC Name]
HPPH
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL500853/
photochlor(hpph)

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

DOB7Y3RSX0 [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: 992.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 151.6±3.0 kJ/mol
    Flash Point: 554.0±34.3 °C
    Index of Refraction: 1.591
    Molar Refractivity: 181.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 9.47
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 121 Å2
    Polarizability: 72.0±0.5 10-24cm3
    Surface Tension: 51.7±3.0 dyne/cm
    Molar Volume: 537.6±3.0 cm3

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