ChemSpider 2D Image | Tesetaxel | C46H60FN3O13

Tesetaxel

  • Molecular FormulaC46H60FN3O13
  • Average mass881.979 Da
  • Monoisotopic mass881.411011 Da
  • ChemSpider ID5293771

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-Acetoxy-4-[(dimethylamino)methyl]-18-{[(2R,3S)-3-(3-fluor-2-pyridinyl)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoyl]oxy}-16-hydroxy-7,19,20 ;,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl-benzoat [German] [ACD/IUPAC Name]
(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-Acetoxy-4-[(dimethylamino)methyl]-18-{[(2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoyl]oxy}-16-hydroxy-7,19,2 ;0,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl benzoate [ACD/IUPAC Name]
2-Pyridinepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3-fluoro-α-hydroxy-, (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-(acetyloxy)-3-(benzoyloxy)-10-[(dimethylamino)methyl]-2a,2b,3 ,4,5,6,8a,11a,11b,12,13,13a-dodecahydro-4-hydroxy-7,11b,14,14-tetramethyl-4,8-methano-2H-[1,3]dioxolo[3,4]cyclodeca[1,2-d]-1-benzoxet-6-yl ester, (αR,βS)- [ACD/Index Name]
333754-36-2 [RN]
Benzoate de (2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acétoxy-4-[(diméthylamino)méthyl]-18-{[(2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoyl]oxy}-16-hy ;droxy-7,19,20,20-tétraméthyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-én-15-yle [French] [ACD/IUPAC Name]
tesetaxel [Spanish] [INN]
Tesetaxel [INN] [Wiki]
tésétaxel [French] [INN]
tesetaxelum [Latin] [INN]
UG97LO5M8Y
More...

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

8592 [DBID]
DJ-927 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 880.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 134.1±3.0 kJ/mol
    Flash Point: 486.3±34.3 °C
    Index of Refraction: 1.598
    Molar Refractivity: 223.8±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 3
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: 5.73
    ACD/LogD (pH 5.5): 2.16
    ACD/BCF (pH 5.5): 6.35
    ACD/KOC (pH 5.5): 24.89
    ACD/LogD (pH 7.4): 3.86
    ACD/BCF (pH 7.4): 315.80
    ACD/KOC (pH 7.4): 1237.97
    Polar Surface Area: 202 Å2
    Polarizability: 88.7±0.5 10-24cm3
    Surface Tension: 60.8±5.0 dyne/cm
    Molar Volume: 655.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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