ChemSpider 2D Image | 16?-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl dipropanoate | C28H36O6

16?-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl dipropanoate

  • Molecular FormulaC28H36O6
  • Average mass468.582 Da
  • Monoisotopic mass468.251190 Da
  • ChemSpider ID32700681

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(16β)-16-Methyl-3,20-dioxopregna-1,4,9(11)-trien-17,21-diyl-dipropanoat [German] [ACD/IUPAC Name]
(16β)-16-Methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl dipropanoate [ACD/IUPAC Name]
16?-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl dipropanoate
52092-12-3 [RN]
Dipropanoate de (16β)-16-méthyl-3,20-dioxoprégna-1,4,9(11)-triène-17,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4,9(11)-triene-3,20-dione, 16-methyl-17,21-bis(1-oxopropoxy)-, (16β)- [ACD/Index Name]
(16β)-16-Methyl-17,21-bis(1-oxopropoxy)pregna-1,4,9(11)-triene-3,20-dione
[2-oxo-2-[(8S,10S,13S,14S,16S,17R)-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] propanoate
16β-Methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl dipropanoate
16β-METHYL-3,20-DIOXOPREGNA-1,4,9(11)-TRIENE-17,21-DIYL DIPROPANOATE

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

P5563U2BR6 [DBID]
UNII:P5563U2BR6 [DBID]
UNII-P5563U2BR6 [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: 584.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 247.9±30.2 °C
Index of Refraction: 1.556
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2990.95
ACD/KOC (pH 5.5): 10704.81
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2990.95
ACD/KOC (pH 7.4): 10704.81
Polar Surface Area: 87 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 394.0±5.0 cm3

Click to predict properties on the Chemicalize site


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