Found 59 results

Search term: MF = 'C_{21}H_{36}O_{7}'
ChemSpider 2D Image | Methyl 7-[(1R,2S,3R,5S)-5-acetoxy-2-(hydroxymethyl)-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl]heptanoate | C21H36O7

Methyl 7-[(1R,2S,3R,5S)-5-acetoxy-2-(hydroxymethyl)-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl]heptanoate

  • Molecular FormulaC21H36O7
  • Average mass400.506 Da
  • Monoisotopic mass400.246094 Da
  • ChemSpider ID18503045

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

61302-47-4 [RN]
7-[(1R,2S,3R,5S)-5-Acétoxy-2-(hydroxyméthyl)-3-(tétrahydro-2H-pyran-2-yloxy)cyclopentyl]heptanoate de méthyle [French] [ACD/IUPAC Name]
Cyclopentaneheptanoic acid, 5-(acetyloxy)-2-(hydroxymethyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (1R,2S,3R,5S)- [ACD/Index Name]
Methyl 7-((1R,2S,3R,5S)-5-acetoxy-2-(hydroxymethyl)-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopentyl)heptanoate
Methyl 7-[(1R,2S,3R,5S)-5-acetoxy-2-(hydroxymethyl)-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl]heptanoate [ACD/IUPAC Name]
Methyl-7-[(1R,2S,3R,5S)-5-acetoxy-2-(hydroxymethyl)-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl]heptanoat [German] [ACD/IUPAC Name]
(1R,2S,3R,5S)-5-(acetyloxy)-2-(hydroxymethyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-cyclopentaneheptanoic acid, methyl ester
(1r,2s,3r,5s)-5-acetyloxy-2-hydroxymethyl-3-tetrahydropyranyloxy-??-(phenylseleno)cyclopentaneheptanoic acid methyl ester (mixture of diastereomers)
(E)-methyl 7-((1R,2S,3R,5S)-5-acetoxy-2-(hydroxymethyl)-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopentyl)hept-5-enoate
[61302-47-4] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 496.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 88.0±6.0 kJ/mol
    Flash Point: 161.6±22.2 °C
    Index of Refraction: 1.497
    Molar Refractivity: 103.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 0
    ACD/LogP: 1.66
    ACD/LogD (pH 5.5): 2.58
    ACD/BCF (pH 5.5): 53.84
    ACD/KOC (pH 5.5): 603.57
    ACD/LogD (pH 7.4): 2.58
    ACD/BCF (pH 7.4): 53.84
    ACD/KOC (pH 7.4): 603.57
    Polar Surface Area: 91 Å2
    Polarizability: 41.2±0.5 10-24cm3
    Surface Tension: 43.5±5.0 dyne/cm
    Molar Volume: 354.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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