ChemSpider 2D Image | DPPA | C30H36O7

DPPA

  • Molecular FormulaC30H36O7
  • Average mass508.603 Da
  • Monoisotopic mass508.246094 Da
  • ChemSpider ID2299213

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-(Acetoxymethyl)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl phenylacetate [ACD/IUPAC Name]
(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-(Acetoxymethyl)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl-phenylacetat [German] [ACD/IUPAC Name]
12-DEOXYPHORBOL 13-PHENYLACETATE 20-ACETATE
54662-30-5 [RN]
Benzeneacetic acid, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester [ACD/Index Name]
DOPPA
DPPA
MFCD01741294
Phénylacétate de (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-(acétoxyméthyl)-4a,7b-dihydroxy-1,1,6,8-tétraméthyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-décahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulén-9a-yle [French] [ACD/IUPAC Name]
(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-(acetoxymethyl)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl 2-phenylacetate
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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: 635.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.7±3.0 kJ/mol
    Flash Point: 204.3±25.0 °C
    Index of Refraction: 1.607
    Molar Refractivity: 135.9±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.84
    ACD/LogD (pH 5.5): 4.51
    ACD/BCF (pH 5.5): 1588.01
    ACD/KOC (pH 5.5): 6804.06
    ACD/LogD (pH 7.4): 4.51
    ACD/BCF (pH 7.4): 1587.81
    ACD/KOC (pH 7.4): 6803.23
    Polar Surface Area: 110 Å2
    Polarizability: 53.9±0.5 10-24cm3
    Surface Tension: 57.3±5.0 dyne/cm
    Molar Volume: 393.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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