ChemSpider 2D Image | MFCD08276885 | C43H46N2O3

MFCD08276885

  • Molecular FormulaC43H46N2O3
  • Average mass638.837 Da
  • Monoisotopic mass638.350830 Da
  • ChemSpider ID9471634

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(R,R)-(-)-2,6-Bis[2-(hydroxydiphenylmethyl)-1-pyrrolidinyl-methyl]-4-methylphenol
(R,R)-2,6-Bis((2-(hydroxydiphenylmethyl)pyrrolidin-1-yl)methyl)-4-methylphenol
2,6-Bis({(2R)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl}methyl)-4-methylphenol [ACD/IUPAC Name]
2,6-Bis({(2R)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl}methyl)-4-methylphenol [German] [ACD/IUPAC Name]
2,6-Bis({(2R)-2-[hydroxy(diphényl)méthyl]-1-pyrrolidinyl}méthyl)-4-méthylphénol [French] [ACD/IUPAC Name]
2,6-bis({[(2R)-2-(hydroxydiphenylmethyl)pyrrolidin-1-yl]methyl})-4-methylphenol
2-Pyrrolidinemethanol, 1,1'-[(2-hydroxy-5-methyl-1,3-phenylene)bis(methylene)]bis[α,α-diphenyl-, (2R)- [ACD/Index Name]
877395-58-9 [RN]
MFCD08276885
Trost (R,R)-Bis-ProPhenol Ligand
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

667625_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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