Found 99 results

Search term: MF = 'C_{34}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | 6-[{4-[(8S,11R,13S,14S,17S)-17-Hydroxy-13-methyl-3-oxo-17-(1-propyn-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl]phenyl}(methyl)amino]hexanamide (non-preferred na me) | C34H44N2O3

6-[{4-[(8S,11R,13S,14S,17S)-17-Hydroxy-13-methyl-3-oxo-17-(1-propyn-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl]phenyl}(methyl)amino]hexanamide (non-preferred na me)

  • Molecular FormulaC34H44N2O3
  • Average mass528.725 Da
  • Monoisotopic mass528.335205 Da
  • ChemSpider ID23334738

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6-[{4-[(8S,11R,13S,14S,17S)-17-Hydroxy-13-methyl-3-oxo-17-(1-propin-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl]phenyl}(methyl)amino]hexanamid (non-preferred nam e) [German] [ACD/IUPAC Name]
6-[{4-[(8S,11R,13S,14S,17S)-17-Hydroxy-13-methyl-3-oxo-17-(1-propyn-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl]phenyl}(methyl)amino]hexanamide (non-preferred na me) [ACD/IUPAC Name]
6-[{4-[(8S,11R,13S,14S,17S)-17-Hydroxy-13-méthyl-3-oxo-17-(1-propyn-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodécahydro-1H-cyclopenta[a]phénanthrén-11-yl]phényl}(méthyl)amino]hexanamide (non-preferred na me) [French] [ACD/IUPAC Name]
Hexanamide, 6-[[4-[(11β,17β)-17-hydroxy-3-oxo-17-(1-propyn-1-yl)estra-4,9-dien-11-yl]phenyl]methylamino]- [ACD/Index Name]
17β-Hydroxy-11β-[4-(5-carbamoyl-N-methylpentylamino)-phenyl]-17α-(1-propinyl)-estra-4,9-dien-3-one
6-[{4-[(11β,17β)-17-hydroxy-3-oxo-17-(prop-1-yn-1-yl)estra-4,9-dien-11-yl]phenyl}(methyl)amino]hexanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 773.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 421.6±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 626.43
ACD/KOC (pH 5.5): 2197.80
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3047.98
ACD/KOC (pH 7.4): 10693.69
Polar Surface Area: 84 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 442.7±5.0 cm3

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