Found 63 results

Search term: MF = 'C_{34}H_{49}NO_{5}'
ChemSpider 2D Image | (3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 4-nitrophenyl carbonate | C34H49NO5

(3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 4-nitrophenyl carbonate

  • Molecular FormulaC34H49NO5
  • Average mass551.757 Da
  • Monoisotopic mass551.361084 Da
  • ChemSpider ID17467904

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 4-nitrophenyl carbonate [ACD/IUPAC Name]
(3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl-4-nitrophenylcarbonat [German] [ACD/IUPAC Name]
Carbonate de (3S,8S,9S,10R,13R,14S,17S)-10,13-diméthyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-3-yle et de 4-nitrophényle [French] [ACD/IUPAC Name]
(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (4-nitrophenyl) carbonate
1029697-05-9 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 637.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.2±3.0 kJ/mol
    Flash Point: 198.5±33.5 °C
    Index of Refraction: 1.560
    Molar Refractivity: 157.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 12.63
    ACD/LogD (pH 5.5): 11.35
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 11.35
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 81 Å2
    Polarizability: 62.4±0.5 10-24cm3
    Surface Tension: 47.2±5.0 dyne/cm
    Molar Volume: 487.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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