ChemSpider 2D Image | MFCD08276890 | C43H46N2O3

MFCD08276890

  • Molecular FormulaC43H46N2O3
  • Average mass638.837 Da
  • Monoisotopic mass638.350830 Da
  • ChemSpider ID9483779

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(S,S)-(+)-2,6-BIS[2-(HYDROXYDIPHENYLMETHYL)-1-PYRROLIDINYL-METHYL]-4-METHYLPHENOL
(S,S)-2,6-Bis[2-(hydroxydiphenylmethyl)pyrrolidin-1-ylmethyl]-4-methylphenol
2,6-Bis({(2S)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl}methyl)-4-methylphenol [ACD/IUPAC Name]
2,6-Bis({(2S)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl}methyl)-4-methylphenol [German] [ACD/IUPAC Name]
2,6-Bis({(2S)-2-[hydroxy(diphényl)méthyl]-1-pyrrolidinyl}méthyl)-4-méthylphénol [French] [ACD/IUPAC Name]
2-Pyrrolidinemethanol, 1,1'-[(2-hydroxy-5-methyl-1,3-phenylene)bis(methylene)]bis[α,α-diphenyl-, (2S)- [ACD/Index Name]
MFCD08276890
Trost (S,S)-Bis-ProPhenol Ligand
((2S,2'S)-1,1'-((2-hydroxy-5-methyl-1,3-phenylene)bis(methylene))bis(pyrrolidine-2,1-diyl))bis(diphenylmethanol)
(s,s)-2,6-bis[2-(hydroxydiphenylmethyl)-1-pyrrolidinyl-methyl]-4-methylphenol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

668370_ALDRICH [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: 777.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.7±3.0 kJ/mol
    Flash Point: 397.7±30.2 °C
    Index of Refraction: 1.659
    Molar Refractivity: 192.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 10.11
    ACD/LogD (pH 5.5): 4.15
    ACD/BCF (pH 5.5): 87.16
    ACD/KOC (pH 5.5): 58.38
    ACD/LogD (pH 7.4): 4.95
    ACD/BCF (pH 7.4): 553.07
    ACD/KOC (pH 7.4): 370.42
    Polar Surface Area: 67 Å2
    Polarizability: 76.2±0.5 10-24cm3
    Surface Tension: 59.7±3.0 dyne/cm
    Molar Volume: 520.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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