Found 60 results

Search term: MF = 'C_{32}H_{42}O_{10}'
ChemSpider 2D Image | (2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-7,10,13-trimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate | C32H42O10

(2α,5β,7β,10β,13α)-4-Acetoxy-1-hydroxy-7,10,13-trimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

  • Molecular FormulaC32H42O10
  • Average mass586.670 Da
  • Monoisotopic mass586.277771 Da
  • ChemSpider ID48058087

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,5β,7β,10β,13α)-4-Acetoxy-1-hydroxy-7,10,13-trimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]
(2α,5β,7β,10β,13α)-4-Acetoxy-1-hydroxy-7,10,13-trimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6,9-trimethoxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S ,11S,12S,12aR,12bS)- [ACD/Index Name]
Benzoate de (2α,5β,7β,10β,13α)-4-acétoxy-1-hydroxy-7,10,13-triméthoxy-9-oxo-5,20-époxytax-11-én-2-yle [French] [ACD/IUPAC Name]
10-Deacetyl-7,10,13-trimethyl Baccatin III
1584118-06-8 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 661.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.3±3.0 kJ/mol
    Flash Point: 205.2±25.0 °C
    Index of Refraction: 1.569
    Molar Refractivity: 150.7±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 4.87
    ACD/LogD (pH 5.5): 3.83
    ACD/BCF (pH 5.5): 476.04
    ACD/KOC (pH 5.5): 2872.51
    ACD/LogD (pH 7.4): 3.83
    ACD/BCF (pH 7.4): 476.04
    ACD/KOC (pH 7.4): 2872.49
    Polar Surface Area: 127 Å2
    Polarizability: 59.7±0.5 10-24cm3
    Surface Tension: 52.0±5.0 dyne/cm
    Molar Volume: 459.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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