ChemSpider 2D Image | LY223982 | C30H30O7

LY223982

  • Molecular FormulaC30H30O7
  • Average mass502.555 Da
  • Monoisotopic mass502.199158 Da
  • ChemSpider ID4948553

  • Double-bond stereo - Double-bond stereo

More details:

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

117423-74-2 [RN]
3-[3-(2-Carboxyethyl)-4-{[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}benzoyl]benzoesäure [German] [ACD/IUPAC Name]
3-[3-(2-Carboxyethyl)-4-{[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}benzoyl]benzoic acid [ACD/IUPAC Name]
Acide 3-[3-(2-carboxyéthyl)-4-{[(5E)-6-(4-méthoxyphényl)-5-hexén-1-yl]oxy}benzoyl]benzoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 5-(3-carboxybenzoyl)-2-[[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy]- [ACD/Index Name]
LY223982
(E)-3-(3-(2-carboxyethyl)-4-((6-(4-methoxyphenyl)hex-5-en-1-yl)oxy)benzoyl)benzoic acid
(E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)-hex-5-enyloxy]-benzoyl}-benzoic acid (LY 223982)
(Z)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)-hex-5-enyloxy]-benzoyl}-benzoic acid
[3H]CGS23131
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LY-223982 [DBID]
XG52JC545T [DBID]
Cgs 23131 [DBID]
LY 223982 [DBID]
Skf 107324 [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: 753.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 115.3±3.0 kJ/mol
    Flash Point: 248.4±26.4 °C
    Index of Refraction: 1.612
    Molar Refractivity: 141.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 6.32
    ACD/LogD (pH 5.5): 3.26
    ACD/BCF (pH 5.5): 41.88
    ACD/KOC (pH 5.5): 91.84
    ACD/LogD (pH 7.4): 1.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 110 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 53.1±3.0 dyne/cm
    Molar Volume: 406.9±3.0 cm3

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