ChemSpider 2D Image | DHA-paclitaxel | C69H81NO15

DHA-paclitaxel

  • Molecular FormulaC69H81NO15
  • Average mass1164.379 Da
  • Monoisotopic mass1163.560669 Da
  • ChemSpider ID5293670

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,5β,7β,10β,13α)-4,10-Diacetoxy-13-({(2R,3S)-3-(benzoylamino)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-3-phenylpropanoyl}oxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax 
-11-en-2-yl benzoate [ACD/IUPAC Name]
(2α,5β,7β,10β,13α)-4,10-Diacetoxy-13-({(2R,3S)-3-(benzoylamino)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-3-phenylpropanoyl}oxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax 
-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
199796-52-6 [RN]
Benzenepropanoic acid, β-(benzoylamino)-α-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3 ,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- [ACD/Index Name]
Benzoate de (2α,5β,7β,10β,13α)-4,10-diacétoxy-13-({(2R,3S)-3-(benzoylamino)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-3-phénylpropanoyl}oxy)-1,7-dihydroxy-9-oxo-5 
,20-époxytax-11-én-2-yle [French] [ACD/IUPAC Name]
DHA-paclitaxel [Wiki]
OJE5810C4F
PACLITAXEL DOCOSAHEXAENOIC ACID
Taxoprexin
UNII-OJE5810C4F
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 1080.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 166.0±3.0 kJ/mol
    Flash Point: 607.1±34.3 °C
    Index of Refraction: 1.610
    Molar Refractivity: 320.9±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 3
    #Freely Rotating Bonds: 30
    #Rule of 5 Violations: 3
    ACD/LogP: 15.69
    ACD/LogD (pH 5.5): 12.47
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 12.47
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 227 Å2
    Polarizability: 127.2±0.5 10-24cm3
    Surface Tension: 59.5±5.0 dyne/cm
    Molar Volume: 926.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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