ChemSpider 2D Image | (16E)-3-(1-Pyrrolidinyl)-16-(3,4,5-trimethoxybenzylidene)androsta-3,5-dien-17-one | C33H43NO4

(16E)-3-(1-Pyrrolidinyl)-16-(3,4,5-trimethoxybenzylidene)androsta-3,5-dien-17-one

  • Molecular FormulaC33H43NO4
  • Average mass517.699 Da
  • Monoisotopic mass517.319214 Da
  • ChemSpider ID4581175

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(16E)-3-(1-Pyrrolidinyl)-16-(3,4,5-trimethoxybenzyliden)androsta-3,5-dien-17-on [German] [ACD/IUPAC Name]
(16E)-3-(1-Pyrrolidinyl)-16-(3,4,5-trimethoxybenzylidene)androsta-3,5-dien-17-one [ACD/IUPAC Name]
(16E)-3-(1-Pyrrolidinyl)-16-(3,4,5-triméthoxybenzylidène)androsta-3,5-dién-17-one [French] [ACD/IUPAC Name]
Androsta-3,5-dien-17-one, 3-(1-pyrrolidinyl)-16-[(3,4,5-trimethoxyphenyl)methylene]-, (16E)- [ACD/Index Name]
17-oxo-3-pyrrolidino-16-(3',4',5'-trimethoxybenzylidene)-3, 5-androstadiene
17-oxo-3-pyrrolidino-16-(3',4',5'-trimethoxybenzylidene)-3,5-androstadiene

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

NSC706019 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.9±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 346.64
ACD/KOC (pH 5.5): 643.27
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 3498.74
ACD/KOC (pH 7.4): 6492.77
Polar Surface Area: 48 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 437.4±5.0 cm3

Click to predict properties on the Chemicalize site


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