Found 17 results

Search term: MF = 'C_{29}H_{38}N_{2}O_{9}S'
ChemSpider 2D Image | (2Z)-4-[2-(Diethylamino)ethoxy]-2-[4-(methylsulfonyl)phenyl]-4-oxo-3-phenyl-2-buten-1-yl 6-(nitrooxy)hexanoate | C29H38N2O9S

(2Z)-4-[2-(Diethylamino)ethoxy]-2-[4-(methylsulfonyl)phenyl]-4-oxo-3-phenyl-2-buten-1-yl 6-(nitrooxy)hexanoate

  • Molecular FormulaC29H38N2O9S
  • Average mass590.685 Da
  • Monoisotopic mass590.229797 Da
  • ChemSpider ID8207471

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-[2-(Diethylamino)ethoxy]-2-[4-(methylsulfonyl)phenyl]-4-oxo-3-phenyl-2-buten-1-yl 6-(nitrooxy)hexanoate [ACD/IUPAC Name]
(2Z)-4-[2-(Diethylamino)ethoxy]-2-[4-(methylsulfonyl)phenyl]-4-oxo-3-phenyl-2-buten-1-yl-6-(nitrooxy)hexanoat [German] [ACD/IUPAC Name]
6-(Nitrooxy)hexanoate de (2Z)-4-[2-(diéthylamino)éthoxy]-2-[4-(méthylsulfonyl)phényl]-4-oxo-3-phényl-2-butén-1-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[1-[4-(methylsulfonyl)phenyl]-2-[[6-(nitrooxy)-1-oxohexyl]oxy]ethylidene]-, 2-(diethylamino)ethyl ester, (αZ)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.3±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 153.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 3.27
ACD/KOC (pH 5.5): 11.44
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 57.35
ACD/KOC (pH 7.4): 200.76
Polar Surface Area: 153 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 485.6±3.0 cm3

Click to predict properties on the Chemicalize site


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