ChemSpider 2D Image | JNJ-1250132 | C33H41NO4

JNJ-1250132

  • Molecular FormulaC33H41NO4
  • Average mass515.683 Da
  • Monoisotopic mass515.303589 Da
  • ChemSpider ID7982321

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(11β)-3,20-Dioxo-11-[4-(1-piperidinyl)phenyl]-19-norpregna-4,9-dien-17-yl acetate [ACD/IUPAC Name]
(11β)-3,20-Dioxo-11-[4-(1-piperidinyl)phenyl]-19-norpregna-4,9-dien-17-yl-acetat [German] [ACD/IUPAC Name]
240805-96-3 [RN]
Acétate de (11β)-3,20-dioxo-11-[4-(1-pipéridinyl)phényl]-19-norprégna-4,9-dién-17-yle [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-acetyl-17-(acetyloxy)-11-[4-(1-piperidinyl)phenyl]-, (11β,17α)- [ACD/Index Name]
JNJ-1250132
[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-11-(4-piperidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-11-[4-(1-piperidyl)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
[(8S,11R,13S,14S,17R)-17-ethanoyl-13-methyl-3-oxo-11-(4-piperidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
19-Norpregna-4,9-diene-3,20-dione, 17-(acetyloxy)-11-(4-(1-piperidinyl)phenyl)-, (11β)-
More...

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

O83910E21Q [DBID]
UNII:O83910E21Q [DBID]
UNII-O83910E21Q [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: 686.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.7±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 1660.70
ACD/KOC (pH 5.5): 5141.81
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4857.56
ACD/KOC (pH 7.4): 15039.86
Polar Surface Area: 64 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 426.6±5.0 cm3

Click to predict properties on the Chemicalize site


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