Found 386 results

Search term: MF = 'C_{30}H_{39}NO_{6}'
ChemSpider 2D Image | (2E)-4-({3-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-(isobutyryloxy)benzyl}oxy)-4-oxo-2-butenoic acid | C30H39NO6

(2E)-4-({3-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-(isobutyryloxy)benzyl}oxy)-4-oxo-2-butenoic acid

  • Molecular FormulaC30H39NO6
  • Average mass509.634 Da
  • Monoisotopic mass509.277740 Da
  • ChemSpider ID48058972

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-4-({3-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-(isobutyryloxy)benzyl}oxy)-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-({3-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-(isobutyryloxy)benzyl}oxy)-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenedioic acid, mono[[3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(2-methyl-1-oxopropoxy)phenyl]methyl] ester, (2E)- [ACD/Index Name]
Acide (2E)-4-({3-[(1R)-3-(diisopropylamino)-1-phénylpropyl]-4-(isobutyryloxy)benzyl}oxy)-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
(2E)-2-Butenedioic Acid 1-[[3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(2-methyl-1-oxopro
(2E)-2-Butenedioic Acid 1-[[3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(2-methyl-1-oxopropoxy)phenyl]methyl] Ester
(E)-4-[[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(2-methylpropanoyloxy)phenyl]methoxy]-4-oxobut-2-enoic acid
(R,E)-4-((3-(3-(diisopropylamino)-1-phenylpropyl)-4-(isobutyryloxy)benzyl)oxy)-4-oxobut-2-enoic acid
1254942-29-4 [RN]
missing

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 619.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±3.0 kJ/mol
    Flash Point: 328.3±31.5 °C
    Index of Refraction: 1.545
    Molar Refractivity: 143.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 5.27
    ACD/LogD (pH 5.5): 2.64
    ACD/BCF (pH 5.5): 15.06
    ACD/KOC (pH 5.5): 47.16
    ACD/LogD (pH 7.4): 2.64
    ACD/BCF (pH 7.4): 15.11
    ACD/KOC (pH 7.4): 47.34
    Polar Surface Area: 93 Å2
    Polarizability: 57.0±0.5 10-24cm3
    Surface Tension: 42.9±3.0 dyne/cm
    Molar Volume: 454.7±3.0 cm3

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