ChemSpider 2D Image | 9-Dihydro-13-acetylbaccatin III | C26H38O10

9-Dihydro-13-acetylbaccatin III

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID28428658

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1β,5β,7β,9α,10β,13α)-1,7,9-Trihydroxy-5,20-epoxytax-11-en-4,10,13-triyl-triacetat [German] [ACD/IUPAC Name]
(1β,5β,7β,9α,10β,13α)-1,7,9-Trihydroxy-5,20-epoxytax-11-ene-4,10,13-triyl triacetate [ACD/IUPAC Name]
142203-65-4 [RN]
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12b-hexol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12b-triacetate, (2aR,4S,4aS,5R,6R,9S,11R,12aS,12bS)- [ACD/Index Name]
9-Dihydro-13-acetylbaccatin III
Triacétate de (1β,5β,7β,9α,10β,13α)-1,7,9-trihydroxy-5,20-époxytax-11-ène-4,10,13-triyle [French] [ACD/IUPAC Name]
[142203-65-4] [RN]
13-Acetyl-9-dihydrobaccatin III
13-Acetyl-9-dihydrobaccatinIII
13-Acetyl-9-fihydrobaccatin Iii
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 601.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 102.7±6.0 kJ/mol
    Flash Point: 193.0±25.0 °C
    Index of Refraction: 1.567
    Molar Refractivity: 125.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 0.69
    ACD/LogD (pH 5.5): 1.27
    ACD/BCF (pH 5.5): 5.45
    ACD/KOC (pH 5.5): 117.18
    ACD/LogD (pH 7.4): 1.27
    ACD/BCF (pH 7.4): 5.45
    ACD/KOC (pH 7.4): 117.18
    Polar Surface Area: 149 Å2
    Polarizability: 49.8±0.5 10-24cm3
    Surface Tension: 56.7±5.0 dyne/cm
    Molar Volume: 384.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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